MC-2176
| Name | |||
|---|---|---|---|
| Unique ID | MC-2176 | ||
| Original ID | BAS_52474199 (Rzepiela et al., 2022) | ||
| Common Name | |||
| Structure Representations | |||
| InchiKey | UZGPPNMHBLNAFP-UHFFFAOYSA-N | ||
| Isomeric SMILES | Cc1ccc(C(C)C)c(OCCNC(=O)C2CC(=O)NC(CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1 | ||
| SMILES (Ring) | C1CNCCCOCCNCCNC1 | ||
| Permeability | |||
| Assay | PAMPA | ||
| Endpoint | Log Peff | ||
| Value | -5.695 | ||
| Unit | |||
| Standardized Value | -5.70 | ||
| Molecule Descriptors | |||
| MW (Da) | 580.73 | NRotB | 8 |
| HBA | 6 | Kier Index (Φ) | 11.76 |
| HBD | 3 | AR | 0.64 |
| cLogP | 3.18 | Fsp3 | 0.50 |
| TPSA (Å2) | 126.07 | MRS | 14 |
| Unique ID: ID for each unique molecule in this dataset; Original ID: The name or ID in original source; Standaridized value: Logarithmic values for permeability values (unit 10-6 cm/s), original data with sign '<' or '>' were removed during data standardization | |||
| Abbreviations: MW (Da): Molecular Weight; HBA: Hydrogen bond acceptor; HBD: Hydrogen bond donor; cLogP: Calculated lipophilicity; TPSA: Topological polar surface area; NRotB: Number of rotatable bonds; Φ: Kier flexibility Index: Fsp3: fraction of sp3 carbon atoms; MRS: macrocyclic ring size; AR: Amide ratio; | |||
| Select | Name | Structure | MW(Da) | HBA | HBD | cLogP | TPSA(Å2) | Kier Index (Φ) |
|---|---|---|---|---|---|---|---|---|
| MC-0192 |  |
543.71 | 6 | 3 | 1.94 | 120.08 | 12.04 | |
| MC-0194 |  |
579.70 | 7 | 4 | 1.19 | 140.31 | 10.91 | |
| MC-0201 |  |
529.68 | 6 | 3 | 1.55 | 120.08 | 10.94 | |
| MC-0211 |  |
563.70 | 6 | 3 | 1.75 | 120.08 | 11.13 | |
| MC-0222 |  |
577.73 | 6 | 3 | 2.13 | 120.08 | 11.34 | |
| MC-0226 |  |
489.57 | 7 | 5 | -0.85 | 149.10 | 10.30 | |
| MC-0227 |  |
517.67 | 6 | 4 | 1.31 | 128.87 | 11.84 | |
| MC-0247 |  |
527.67 | 6 | 3 | 1.45 | 120.08 | 9.98 | |
| MC-0253 |  |
575.71 | 6 | 3 | 2.37 | 120.08 | 9.74 | |
| MC-0258 |  |
475.59 | 6 | 4 | 0.28 | 128.87 | 10.79 | |
| MC-0261 |  |
535.64 | 6 | 2 | 0.92 | 111.29 | 9.54 | |
| MC-0264 |  |
591.75 | 6 | 3 | 2.86 | 120.08 | 11.55 | |
| MC-0265 |  |
523.63 | 6 | 3 | 0.82 | 120.08 | 10.66 | |
| MC-0285 |  |
527.67 | 6 | 3 | 1.30 | 120.08 | 9.25 | |
| MC-0286 |  |
563.70 | 6 | 3 | 1.74 | 120.08 | 10.35 | |
| MC-0290 |  |
639.80 | 6 | 3 | 3.44 | 120.08 | 11.62 | |
| MC-0319 |  |
577.73 | 6 | 3 | 2.14 | 120.08 | 11.75 | |
| MC-0320 |  |
501.63 | 6 | 2 | 0.72 | 111.29 | 9.69 | |
| MC-0324 |  |
449.51 | 7 | 5 | -1.77 | 149.10 | 9.89 | |
| MC-0326 |  |
537.66 | 6 | 4 | 1.26 | 128.87 | 10.45 | |
| MC-0330 |  |
503.64 | 6 | 3 | 1.02 | 120.08 | 11.66 | |
| MC-0334 |  |
529.68 | 6 | 3 | 1.55 | 120.08 | 11.38 | |
| MC-0353 |  |
549.67 | 6 | 4 | 1.40 | 128.87 | 10.92 | |
| MC-0366 |  |
515.66 | 6 | 3 | 1.16 | 120.08 | 10.74 | |
| MC-0375 |  |
515.66 | 6 | 3 | 1.16 | 120.08 | 10.74 | |
| MC-0386 |  |
642.80 | 6 | 4 | 3.15 | 135.87 | 10.72 | |
| MC-0387 |  |
589.74 | 6 | 3 | 2.28 | 120.08 | 10.65 | |
| MC-0404 |  |
499.61 | 6 | 3 | 0.66 | 120.08 | 8.79 | |
| MC-0424 |  |
551.69 | 6 | 3 | 1.60 | 120.08 | 11.50 | |
| MC-0450 |  |
523.63 | 6 | 4 | 0.87 | 128.87 | 11.10 | |
| MC-0456 |  |
535.64 | 6 | 4 | 1.01 | 128.87 | 9.91 | |
| MC-0473 |  |
501.63 | 6 | 3 | 0.77 | 120.08 | 10.10 | |
| MC-0477 |  |
529.68 | 6 | 3 | 1.55 | 120.08 | 11.38 | |
| MC-0496 |  |
461.56 | 6 | 3 | -0.01 | 120.08 | 10.12 | |
| MC-0501 |  |
561.68 | 6 | 3 | 1.98 | 120.08 | 9.51 | |
| MC-0507 |  |
569.75 | 6 | 3 | 2.47 | 120.08 | 11.42 | |
| MC-0509 |  |
499.61 | 6 | 3 | 0.66 | 120.08 | 8.45 | |
| MC-0555 |  |
501.63 | 6 | 2 | 0.72 | 111.29 | 9.69 | |
| MC-0617 |  |
501.63 | 6 | 3 | 0.77 | 120.08 | 9.69 | |
| MC-0718 |  |
565.72 | 6 | 4 | 1.89 | 128.87 | 12.15 | |
| MC-0814 |  |
641.77 | 7 | 5 | 2.07 | 149.10 | 11.95 | |
| MC-0828 |  |
489.62 | 6 | 3 | 0.62 | 120.08 | 10.98 | |
| MC-0831 |  |
529.68 | 6 | 3 | 1.40 | 120.08 | 10.52 | |
| MC-0849 |  |
487.60 | 6 | 2 | 0.33 | 111.29 | 9.08 | |
| MC-0872 |  |
617.79 | 6 | 3 | 3.39 | 120.08 | 11.10 | |
| MC-0940 |  |
490.56 | 7 | 4 | -1.55 | 163.17 | 10.46 | |
| MC-0950 |  |
461.56 | 6 | 2 | -0.06 | 111.29 | 10.12 | |
| MC-0951 |  |
530.63 | 7 | 4 | -0.62 | 163.17 | 10.89 | |
| MC-0983 |  |
574.65 | 5 | 2 | 2.94 | 108.05 | 10.63 | |
| MC-0989 |  |
556.59 | 7 | 4 | 0.76 | 146.30 | 9.54 | |
| MC-0990 |  |
613.72 | 7 | 4 | 1.56 | 138.10 | 11.14 | |
| MC-0997 |  |
516.60 | 7 | 3 | 0.06 | 137.51 | 8.33 | |
| MC-1005 |  |
482.54 | 6 | 5 | -0.09 | 145.86 | 9.61 | |
| MC-1008 |  |
552.67 | 6 | 3 | 2.31 | 126.07 | 11.35 | |
| MC-1010 |  |
593.72 | 7 | 4 | 1.75 | 138.10 | 11.52 | |
| MC-1013 |  |
459.55 | 6 | 2 | -0.30 | 111.29 | 8.26 | |
| MC-1016 |  |
531.64 | 8 | 4 | 0.40 | 149.96 | 9.98 | |
| MC-1020 |  |
570.69 | 5 | 2 | 3.19 | 108.05 | 11.09 | |
| MC-1029 |  |
524.62 | 6 | 3 | 1.53 | 126.07 | 10.09 | |
| MC-1041 |  |
594.59 | 8 | 4 | 0.85 | 154.89 | 9.70 | |
| MC-1042 |  |
552.67 | 6 | 2 | 2.03 | 117.28 | 11.95 | |
| MC-1048 |  |
656.78 | 7 | 3 | 3.44 | 135.30 | 11.90 | |
| MC-1049 |  |
488.58 | 6 | 2 | 0.80 | 117.28 | 8.72 | |
| MC-1055 |  |
607.11 | 6 | 3 | 2.91 | 126.07 | 10.99 | |
| MC-1075 |  |
522.65 | 5 | 3 | 2.31 | 116.84 | 10.69 | |
| MC-1084 |  |
572.66 | 6 | 3 | 2.26 | 126.07 | 10.52 | |
| MC-1090 |  |
569.73 | 7 | 3 | 2.60 | 129.73 | 10.14 | |
| MC-1095 |  |
474.56 | 6 | 3 | 0.15 | 128.28 | 8.49 | |
| MC-1099 |  |
644.77 | 7 | 3 | 3.30 | 135.30 | 13.02 | |
| MC-1104 |  |
600.72 | 6 | 3 | 3.07 | 126.07 | 11.34 | |
| MC-1108 |  |
580.68 | 7 | 3 | 2.21 | 135.30 | 10.27 | |
| MC-1112 |  |
552.67 | 6 | 3 | 2.31 | 126.07 | 11.35 | |
| MC-1114 |  |
600.72 | 6 | 3 | 3.07 | 126.07 | 11.34 | |
| MC-1135 |  |
522.65 | 5 | 3 | 2.31 | 116.84 | 10.69 | |
| MC-1137 |  |
568.67 | 7 | 3 | 1.93 | 135.30 | 11.37 | |
| MC-1146 |  |
487.56 | 6 | 3 | -0.34 | 137.15 | 9.04 | |
| MC-1147 |  |
608.74 | 7 | 3 | 2.24 | 135.30 | 13.00 | |
| MC-1155 |  |
554.64 | 7 | 3 | 1.76 | 135.30 | 11.17 | |
| MC-1156 |  |
586.69 | 6 | 3 | 2.56 | 126.07 | 10.74 | |
| MC-1158 |  |
580.73 | 6 | 3 | 3.27 | 126.07 | 12.20 | |
| MC-1187 |  |
540.66 | 7 | 3 | 1.27 | 134.66 | 10.08 | |
| MC-1190 |  |
544.69 | 6 | 3 | 2.27 | 126.07 | 12.04 | |
| MC-1207 |  |
568.65 | 6 | 3 | 2.42 | 126.07 | 10.15 | |
| MC-1213 |  |
563.66 | 7 | 3 | 0.82 | 129.31 | 9.48 | |
| MC-1215 |  |
563.66 | 7 | 3 | 0.82 | 129.31 | 9.48 | |
| MC-1217 |  |
593.72 | 7 | 4 | 1.75 | 138.10 | 11.52 | |
| MC-1218 |  |
471.51 | 6 | 3 | -0.98 | 137.15 | 6.99 | |
| MC-1243 |  |
652.83 | 7 | 3 | 4.13 | 135.30 | 14.37 | |
| MC-1254 |  |
616.72 | 7 | 3 | 2.66 | 135.30 | 11.78 | |
| MC-1258 |  |
490.56 | 7 | 3 | -0.47 | 137.51 | 9.05 | |
| MC-1262 |  |
596.68 | 8 | 4 | 1.19 | 155.53 | 10.82 | |
| MC-1275 |  |
502.61 | 6 | 2 | 1.19 | 117.28 | 9.69 | |
| MC-1278 |  |
586.69 | 6 | 3 | 2.65 | 126.07 | 11.13 | |
| MC-1283 |  |
446.55 | 5 | 4 | 0.99 | 125.63 | 9.49 | |
| MC-1286 |  |
591.71 | 6 | 3 | 2.00 | 137.15 | 10.75 | |
| MC-1293 |  |
552.67 | 6 | 4 | 2.36 | 134.86 | 11.35 | |
| MC-1298 |  |
562.67 | 6 | 2 | 1.92 | 117.28 | 9.18 | |
| MC-1304 |  |
639.75 | 6 | 3 | 2.58 | 137.15 | 10.87 | |
| MC-1307 |  |
622.76 | 7 | 3 | 3.25 | 135.30 | 12.06 | |
| MC-1308 |  |
528.61 | 6 | 4 | -0.16 | 149.18 | 8.70 | |
| MC-1310 |  |
538.64 | 6 | 3 | 2.06 | 126.07 | 10.72 | |
| MC-1313 |  |
580.64 | 8 | 4 | 0.55 | 155.53 | 9.11 | |
| MC-1315 |  |
614.74 | 6 | 3 | 3.46 | 126.07 | 11.95 | |
| MC-1317 |  |
614.74 | 6 | 3 | 3.46 | 126.07 | 11.95 | |
| MC-1349 |  |
552.63 | 7 | 3 | 1.30 | 135.30 | 9.47 | |
| MC-1361 |  |
577.68 | 6 | 3 | 1.61 | 137.15 | 10.16 | |
| MC-1363 |  |
596.72 | 7 | 3 | 2.71 | 135.30 | 12.66 | |
| MC-1371 |  |
528.58 | 6 | 3 | 1.50 | 126.07 | 10.03 | |
| MC-1376 |  |
508.62 | 5 | 4 | 1.88 | 125.63 | 10.06 | |
| MC-1381 |  |
552.67 | 6 | 3 | 2.37 | 126.07 | 10.92 | |
| MC-1386 |  |
508.62 | 5 | 3 | 1.92 | 116.84 | 10.06 | |
| MC-1398 |  |
600.72 | 6 | 3 | 2.96 | 126.07 | 11.34 | |
| MC-1399 |  |
593.72 | 7 | 3 | 1.70 | 129.31 | 11.52 | |
| MC-1411 |  |
566.70 | 6 | 5 | 2.48 | 145.86 | 11.70 | |
| MC-1412 |  |
552.67 | 6 | 3 | 2.37 | 126.07 | 10.92 | |
| MC-1423 |  |
502.50 | 7 | 5 | -0.50 | 155.09 | 9.57 | |
| MC-1424 |  |
602.66 | 6 | 4 | 2.49 | 137.07 | 9.73 | |
| MC-1428 |  |
600.72 | 6 | 3 | 3.42 | 126.07 | 11.34 | |
| MC-1437 |  |
538.64 | 6 | 3 | 1.92 | 126.07 | 10.72 | |
| MC-1451 |  |
486.50 | 6 | 5 | -0.34 | 145.86 | 9.13 | |
| MC-1457 |  |
607.11 | 6 | 3 | 2.99 | 126.07 | 10.99 | |
| MC-1458 |  |
510.59 | 6 | 5 | 1.06 | 145.86 | 10.02 | |
| MC-1476 |  |
575.67 | 6 | 3 | 1.50 | 137.15 | 9.04 | |
| MC-1496 |  |
607.11 | 6 | 3 | 2.99 | 126.07 | 11.38 | |
| MC-1499 |  |
568.67 | 7 | 3 | 2.15 | 135.30 | 11.81 | |
| MC-1501 |  |
464.52 | 7 | 4 | -0.96 | 146.30 | 10.08 | |
| MC-1506 |  |
580.61 | 7 | 3 | 1.98 | 134.66 | 10.73 | |
| MC-1518 |  |
582.70 | 7 | 3 | 2.32 | 135.30 | 12.01 | |
| MC-1545 |  |
577.68 | 6 | 3 | 1.61 | 137.15 | 10.16 | |
| MC-1555 |  |
619.12 | 6 | 3 | 3.14 | 126.07 | 10.34 | |
| MC-1557 |  |
556.62 | 8 | 5 | 0.32 | 164.32 | 11.57 | |
| MC-1562 |  |
508.62 | 5 | 4 | 1.88 | 125.63 | 10.06 | |
| MC-1568 |  |
582.67 | 6 | 3 | 2.17 | 126.07 | 10.16 | |
| MC-1573 |  |
476.57 | 6 | 3 | 0.71 | 126.07 | 10.79 | |
| MC-1579 |  |
488.58 | 6 | 3 | 0.54 | 128.28 | 9.08 | |
| MC-1589 |  |
607.11 | 6 | 3 | 2.74 | 126.07 | 11.52 | |
| MC-1591 |  |
573.09 | 6 | 3 | 2.71 | 126.07 | 11.19 | |
| MC-1603 |  |
564.68 | 6 | 3 | 2.22 | 126.07 | 11.13 | |
| MC-1611 |  |
560.01 | 7 | 4 | 0.24 | 169.16 | 10.50 | |
| MC-1615 |  |
566.70 | 6 | 3 | 2.76 | 126.07 | 11.56 | |
| MC-1620 |  |
630.74 | 7 | 3 | 2.91 | 135.30 | 12.40 | |
| MC-1622 |  |
543.69 | 7 | 3 | 2.07 | 129.73 | 10.64 | |
| MC-1645 |  |
473.57 | 6 | 3 | -0.01 | 120.08 | 8.86 | |
| MC-1651 |  |
536.63 | 6 | 4 | 1.17 | 137.07 | 9.54 | |
| MC-1667 |  |
596.70 | 6 | 3 | 2.56 | 126.07 | 10.74 | |
| MC-1696 |  |
486.57 | 6 | 2 | 0.70 | 117.28 | 7.59 | |
| MC-1712 |  |
593.72 | 7 | 4 | 1.75 | 138.10 | 11.52 | |
| MC-1715 |  |
614.70 | 7 | 3 | 2.49 | 135.30 | 10.52 | |
| MC-1717 |  |
566.66 | 7 | 3 | 1.69 | 135.30 | 10.05 | |
| MC-1718 |  |
446.50 | 6 | 4 | -0.58 | 137.07 | 7.68 | |
| MC-1722 |  |
556.62 | 8 | 4 | 0.27 | 155.53 | 11.13 | |
| MC-1724 |  |
520.63 | 5 | 2 | 1.79 | 108.05 | 8.66 | |
| MC-1757 |  |
496.57 | 7 | 3 | 0.32 | 142.62 | 9.32 | |
| MC-1759 |  |
566.66 | 7 | 4 | 0.80 | 146.30 | 10.31 | |
| MC-1775 |  |
665.19 | 7 | 3 | 4.59 | 135.30 | 12.46 | |
| MC-1788 |  |
600.72 | 6 | 3 | 2.96 | 126.07 | 11.34 | |
| MC-1807 |  |
514.55 | 6 | 4 | 0.39 | 137.07 | 9.56 | |
| MC-1817 |  |
566.66 | 7 | 4 | 1.18 | 146.30 | 10.18 | |
| MC-1822 |  |
635.81 | 7 | 4 | 2.78 | 138.10 | 12.97 | |
| MC-1829 |  |
540.62 | 7 | 3 | 1.37 | 135.30 | 10.54 | |
| MC-1832 |  |
551.60 | 7 | 5 | -0.40 | 166.17 | 9.68 | |
| MC-1834 |  |
472.54 | 6 | 2 | 0.31 | 117.28 | 7.35 | |
| MC-1875 |  |
528.65 | 6 | 2 | 1.73 | 117.28 | 9.25 | |
| MC-1891 |  |
538.60 | 7 | 3 | 1.27 | 135.30 | 9.24 | |
| MC-1895 |  |
537.62 | 7 | 4 | -0.14 | 138.10 | 10.26 | |
| MC-1899 |  |
630.74 | 7 | 3 | 2.91 | 135.30 | 11.99 | |
| MC-1911 |  |
610.75 | 7 | 3 | 3.10 | 135.30 | 13.32 | |
| MC-1916 |  |
562.67 | 6 | 2 | 1.92 | 117.28 | 8.87 | |
| MC-1920 |  |
621.13 | 6 | 3 | 3.13 | 126.07 | 12.14 | |
| MC-1926 |  |
580.68 | 7 | 3 | 1.46 | 135.30 | 11.72 | |
| MC-1928 |  |
552.63 | 7 | 4 | 0.41 | 146.30 | 10.09 | |
| MC-1930 |  |
566.58 | 7 | 3 | 1.59 | 134.66 | 10.13 | |
| MC-1933 |  |
494.55 | 7 | 3 | 0.21 | 142.62 | 8.09 | |
| MC-1935 |  |
530.67 | 6 | 3 | 1.88 | 126.07 | 10.52 | |
| MC-1938 |  |
601.14 | 6 | 3 | 3.58 | 126.07 | 12.93 | |
| MC-1968 |  |
568.63 | 8 | 4 | 0.63 | 155.53 | 10.01 | |
| MC-1979 |  |
582.70 | 7 | 3 | 2.32 | 135.30 | 12.01 | |
| MC-1982 |  |
517.63 | 7 | 3 | 0.00 | 129.31 | 10.70 | |
| MC-1991 |  |
522.60 | 6 | 5 | 0.69 | 145.86 | 8.96 | |
| MC-1996 |  |
530.67 | 6 | 3 | 2.02 | 126.07 | 11.38 | |
| MC-1998 |  |
644.77 | 7 | 3 | 3.30 | 135.30 | 12.61 | |
| MC-2000 |  |
582.70 | 5 | 3 | 3.04 | 116.84 | 10.05 | |
| MC-2005 |  |
602.69 | 7 | 2 | 2.30 | 126.51 | 11.17 | |
| MC-2022 |  |
602.69 | 7 | 3 | 2.35 | 135.30 | 11.17 | |
| MC-2035 |  |
564.68 | 6 | 3 | 2.07 | 126.07 | 10.35 | |
| MC-2045 |  |
630.72 | 6 | 3 | 2.76 | 126.07 | 10.64 | |
| MC-2046 |  |
591.71 | 6 | 3 | 2.00 | 137.15 | 10.75 | |
| MC-2055 |  |
600.72 | 6 | 3 | 2.90 | 126.07 | 11.34 | |
| MC-2057 |  |
566.66 | 7 | 3 | 1.69 | 135.30 | 10.05 | |
| MC-2059 |  |
592.65 | 7 | 4 | -0.18 | 180.24 | 10.31 | |
| MC-2064 |  |
662.76 | 7 | 3 | 4.38 | 135.30 | 12.37 | |
| MC-2066 |  |
526.56 | 6 | 3 | 1.40 | 126.07 | 8.78 | |
| MC-2067 |  |
566.70 | 6 | 3 | 2.88 | 126.07 | 11.56 | |
| MC-2068 |  |
520.63 | 5 | 3 | 1.84 | 116.84 | 8.99 | |
| MC-2075 |  |
545.04 | 6 | 3 | 2.02 | 126.07 | 10.35 | |
| MC-2082 |  |
530.67 | 6 | 3 | 2.02 | 126.07 | 11.38 | |
| MC-2101 |  |
534.66 | 5 | 4 | 2.35 | 125.63 | 9.57 | |
| MC-2102 |  |
591.71 | 6 | 3 | 2.00 | 137.15 | 10.75 | |
| MC-2104 |  |
542.59 | 8 | 5 | -0.07 | 164.32 | 10.93 | |
| MC-2106 |  |
596.70 | 6 | 3 | 2.56 | 126.07 | 10.74 | |
| MC-2119 |  |
587.12 | 6 | 3 | 3.10 | 126.07 | 11.82 | |
| MC-2125 |  |
458.56 | 5 | 3 | 1.08 | 116.84 | 8.30 | |
| MC-2144 |  |
590.65 | 6 | 2 | 2.43 | 117.28 | 10.68 | |
| MC-2149 |  |
650.82 | 7 | 3 | 3.74 | 135.30 | 14.05 | |
| MC-2151 |  |
516.60 | 7 | 3 | 0.06 | 137.51 | 8.65 | |
| MC-2161 |  |
596.72 | 7 | 4 | 2.76 | 144.09 | 12.66 | |
| MC-2166 |  |
531.65 | 7 | 3 | 0.40 | 129.31 | 11.35 | |
| MC-2176 |  |
580.73 | 6 | 3 | 3.18 | 126.07 | 11.76 | |
| MC-2180 |  |
610.75 | 7 | 3 | 3.32 | 135.30 | 13.80 | |
| MC-2187 |  |
605.69 | 7 | 4 | 0.86 | 157.38 | 9.78 | |
| MC-2189 |  |
618.69 | 8 | 5 | 1.36 | 164.32 | 11.74 | |
| MC-2199 |  |
554.64 | 7 | 3 | 1.76 | 135.30 | 11.17 | |
| MC-2200 |  |
503.56 | 7 | 3 | -0.98 | 160.37 | 9.23 | |
| MC-2201 |  |
560.63 | 5 | 3 | 2.25 | 116.84 | 10.04 | |
| MC-2204 |  |
588.66 | 7 | 3 | 1.96 | 135.30 | 10.95 | |
| MC-2212 |  |
593.08 | 6 | 3 | 2.60 | 126.07 | 10.77 | |
| MC-2220 |  |
530.67 | 6 | 3 | 1.88 | 126.07 | 10.13 | |
| MC-2229 |  |
578.71 | 6 | 3 | 2.85 | 126.07 | 10.81 | |
| MC-2232 |  |
510.60 | 7 | 3 | 0.71 | 142.62 | 9.93 | |
| MC-2266 |  |
517.58 | 7 | 4 | -0.98 | 157.38 | 9.84 | |
| MC-2269 |  |
476.57 | 6 | 3 | 0.71 | 126.07 | 10.79 | |
| MC-2278 |  |
602.69 | 7 | 3 | 2.27 | 135.30 | 11.17 | |
| MC-2282 |  |
612.73 | 6 | 3 | 3.04 | 126.07 | 10.68 | |
| MC-2322 |  |
444.53 | 5 | 3 | 0.84 | 116.84 | 8.08 | |
| MC-2324 |  |
580.70 | 5 | 3 | 3.32 | 116.84 | 9.85 | |
| MC-2326 |  |
558.64 | 7 | 3 | 1.29 | 142.62 | 9.98 | |
| MC-2328 |  |
553.62 | 8 | 5 | -0.69 | 158.33 | 10.44 | |
| MC-2331 |  |
603.72 | 6 | 3 | 2.14 | 137.15 | 9.82 | |
| MC-2332 |  |
611.70 | 8 | 4 | 0.93 | 178.39 | 12.81 | |
| MC-2334 |  |
502.61 | 6 | 2 | 1.19 | 117.28 | 9.30 | |
| MC-2337 |  |
556.59 | 7 | 5 | 0.16 | 155.09 | 9.67 | |
| MC-2339 |  |
526.61 | 5 | 3 | 2.06 | 116.84 | 10.21 | |
| MC-2360 |  |
585.10 | 6 | 2 | 2.89 | 117.28 | 10.09 | |
| MC-2365 |  |
585.10 | 6 | 3 | 2.69 | 126.07 | 10.59 | |
| MC-2374 |  |
485.58 | 6 | 2 | 0.23 | 111.29 | 7.90 | |
| MC-2379 |  |
579.70 | 7 | 3 | 1.57 | 129.31 | 10.77 | |
| MC-2384 |  |
564.68 | 6 | 3 | 2.07 | 126.07 | 9.99 | |
| MC-2392 |  |
494.59 | 5 | 4 | 1.84 | 125.63 | 9.44 | |
| MC-2394 |  |
598.74 | 5 | 3 | 3.90 | 116.84 | 11.52 | |
| MC-2395 |  |
541.65 | 6 | 3 | 0.83 | 137.15 | 9.42 | |
| MC-2397 |  |
578.71 | 6 | 2 | 2.56 | 117.28 | 11.34 | |
| MC-2425 |  |
518.61 | 5 | 3 | 1.81 | 116.84 | 7.91 | |
| MC-2459 |  |
540.64 | 5 | 3 | 2.40 | 116.84 | 9.66 | |
| MC-2461 |  |
605.74 | 7 | 3 | 1.85 | 129.31 | 10.50 | |
| MC-2462 |  |
607.11 | 6 | 2 | 2.94 | 117.28 | 10.99 | |
| MC-2476 |  |
635.81 | 7 | 3 | 2.88 | 129.31 | 13.40 | |
| MC-2483 |  |
564.68 | 6 | 3 | 2.22 | 126.07 | 11.13 | |
| MC-2494 |  |
580.73 | 6 | 3 | 3.18 | 126.07 | 11.76 | |
| MC-2495 |  |
616.72 | 7 | 3 | 2.52 | 135.30 | 11.78 | |
| MC-2502 |  |
611.70 | 6 | 4 | 1.85 | 145.94 | 10.42 | |
| MC-2519 |  |
559.06 | 6 | 3 | 2.40 | 126.07 | 10.98 | |
| MC-2521 |  |
561.68 | 6 | 2 | 1.45 | 111.29 | 9.18 | |
| MC-2522 |  |
677.84 | 7 | 3 | 3.30 | 146.38 | 14.00 | |
| MC-2524 |  |
564.68 | 6 | 2 | 2.54 | 117.28 | 9.86 | |
| MC-2527 |  |
534.66 | 5 | 2 | 2.18 | 108.05 | 9.22 | |
| MC-2543 |  |
518.95 | 7 | 5 | 0.01 | 155.09 | 9.90 | |
| MC-2557 |  |
544.69 | 6 | 2 | 2.36 | 117.28 | 11.58 | |
| MC-2563 |  |
541.61 | 8 | 4 | -0.90 | 177.75 | 9.63 | |
| MC-2568 |  |
543.65 | 8 | 4 | 0.55 | 149.96 | 9.29 | |
| MC-2574 |  |
646.72 | 7 | 5 | 1.78 | 155.09 | 11.18 | |
| MC-2586 |  |
558.64 | 7 | 4 | 1.34 | 151.41 | 9.62 | |
| MC-2602 |  |
554.66 | 5 | 3 | 2.79 | 116.84 | 10.26 | |
| MC-2607 |  |
538.53 | 7 | 3 | 0.95 | 134.66 | 9.31 | |
| MC-2619 |  |
586.69 | 7 | 4 | 1.98 | 151.41 | 11.18 | |
| MC-2622 |  |
592.74 | 6 | 3 | 3.33 | 126.07 | 10.66 | |
| MC-2635 |  |
648.73 | 7 | 3 | 4.07 | 135.30 | 12.15 | |
| MC-2645 |  |
594.75 | 6 | 3 | 3.57 | 126.07 | 12.40 | |
| MC-2649 |  |
502.61 | 6 | 2 | 1.19 | 117.28 | 9.30 | |
| MC-2662 |  |
509.61 | 6 | 3 | 1.31 | 129.73 | 10.00 | |
| MC-2683 |  |
591.73 | 7 | 3 | 2.66 | 129.73 | 10.66 | |
| MC-2696 |  |
622.74 | 6 | 3 | 3.09 | 126.07 | 10.37 | |
| MC-2700 |  |
503.56 | 7 | 4 | -1.24 | 171.37 | 9.23 | |
| MC-2703 |  |
484.56 | 7 | 4 | 0.15 | 143.45 | 8.82 | |
| MC-2708 |  |
514.54 | 8 | 5 | -0.64 | 164.32 | 10.09 | |
| MC-2712 |  |
615.17 | 6 | 3 | 3.71 | 126.07 | 13.77 | |
| MC-2716 |  |
534.66 | 5 | 2 | 2.18 | 108.05 | 9.22 | |
| MC-2745 |  |
584.69 | 6 | 4 | 2.96 | 134.86 | 12.13 | |
| MC-2746 |  |
602.71 | 5 | 2 | 3.68 | 108.05 | 10.71 | |
| MC-2749 |  |
648.73 | 7 | 3 | 4.07 | 135.30 | 12.15 | |
| MC-2754 |  |
640.66 | 7 | 3 | 2.71 | 134.66 | 10.23 | |
| MC-2755 |  |
517.63 | 7 | 3 | 0.00 | 129.31 | 10.70 | |
| MC-2771 |  |
492.58 | 5 | 2 | 1.16 | 108.05 | 7.87 | |
| MC-2775 |  |
522.60 | 6 | 3 | 0.74 | 128.28 | 8.96 | |
| MC-2776 |  |
535.64 | 6 | 2 | 0.92 | 111.29 | 9.54 | |
| MC-2778 |  |
503.58 | 8 | 5 | -0.32 | 158.75 | 9.56 | |
| MC-2816 |  |
494.59 | 5 | 4 | 1.57 | 125.63 | 9.85 | |
| MC-2820 |  |
590.63 | 8 | 5 | 1.32 | 164.32 | 10.78 | |
| MC-2825 |  |
551.60 | 7 | 5 | -0.40 | 166.17 | 9.68 | |
| MC-2846 |  |
644.77 | 7 | 2 | 3.60 | 126.51 | 13.02 | |
| MC-2849 |  |
616.72 | 7 | 3 | 2.74 | 135.30 | 11.78 | |
| MC-2855 |  |
542.61 | 6 | 3 | 1.89 | 126.07 | 10.65 | |
| MC-2863 |  |
550.66 | 6 | 3 | 1.83 | 126.07 | 9.42 | |
| MC-2879 |  |
568.55 | 8 | 4 | 0.31 | 154.89 | 10.09 | |
| MC-2888 |  |
592.74 | 6 | 3 | 3.33 | 126.07 | 10.66 | |
| MC-2895 |  |
432.48 | 6 | 4 | -0.97 | 137.07 | 7.11 | |
| MC-2921 |  |
486.57 | 6 | 2 | 0.70 | 117.28 | 7.90 | |
| MC-2922 |  |
544.69 | 6 | 5 | 2.05 | 145.86 | 11.15 | |
| MC-2930 |  |
600.72 | 7 | 3 | 2.00 | 134.66 | 9.62 | |
| MC-2932 |  |
509.56 | 6 | 5 | -0.21 | 168.72 | 9.59 | |
| MC-2939 |  |
472.54 | 6 | 4 | -0.05 | 137.07 | 7.35 | |
| MC-2946 |  |
550.61 | 7 | 3 | 1.19 | 135.30 | 8.37 | |
| MC-2955 |  |
586.69 | 6 | 2 | 2.60 | 117.28 | 10.74 | |
| MC-2982 |  |
563.66 | 6 | 3 | 0.88 | 137.15 | 9.94 | |
| MC-2988 |  |
602.66 | 6 | 3 | 2.62 | 126.07 | 10.06 | |
| MC-2993 |  |
641.77 | 7 | 3 | 2.29 | 129.31 | 11.58 | |
| MC-2994 |  |
480.56 | 5 | 4 | 1.45 | 125.63 | 8.83 | |
| MC-3001 |  |
494.59 | 5 | 4 | 1.49 | 125.63 | 9.44 | |
| MC-3009 |  |
602.69 | 7 | 3 | 2.35 | 135.30 | 11.56 | |
| MC-3011 |  |
501.61 | 7 | 3 | 1.04 | 129.73 | 9.18 | |
| MC-3016 |  |
464.52 | 7 | 4 | -0.96 | 146.30 | 10.08 | |
| MC-3017 |  |
552.67 | 6 | 3 | 2.45 | 126.07 | 11.35 | |
| MC-3052 |  |
586.69 | 6 | 3 | 2.56 | 126.07 | 10.74 | |
| MC-3063 |  |
549.63 | 6 | 3 | 0.49 | 137.15 | 9.72 | |
| MC-3071 |  |
569.66 | 6 | 3 | 2.04 | 129.73 | 9.43 | |
| MC-3090 |  |
565.67 | 7 | 3 | 0.59 | 129.31 | 10.69 | |
| MC-3103 |  |
460.53 | 6 | 1 | 0.12 | 108.49 | 7.91 | |
| MC-3109 |  |
462.55 | 6 | 3 | 0.32 | 126.07 | 10.12 | |
| MC-3116 |  |
585.10 | 6 | 3 | 2.86 | 126.07 | 10.09 | |
| MC-3129 |  |
486.61 | 5 | 4 | 1.76 | 125.63 | 9.12 | |
| MC-3130 |  |
573.09 | 6 | 3 | 2.54 | 126.07 | 11.77 | |
| MC-3136 |  |
458.56 | 5 | 3 | 1.08 | 116.84 | 8.30 | |
| MC-3142 |  |
494.55 | 6 | 4 | -0.21 | 137.07 | 8.17 | |
| MC-3150 |  |
646.74 | 8 | 5 | 1.93 | 164.32 | 12.99 | |
| MC-3153 |  |
607.11 | 6 | 2 | 3.29 | 117.28 | 11.38 | |
| MC-3163 |  |
564.68 | 6 | 3 | 2.51 | 126.07 | 9.86 | |
| MC-3164 |  |
460.53 | 6 | 3 | 0.22 | 126.07 | 8.65 | |
| MC-3183 |  |
462.50 | 7 | 4 | -1.20 | 146.30 | 8.23 | |
| MC-3197 |  |
527.58 | 8 | 5 | -1.42 | 166.78 | 9.65 | |
| MC-3199 |  |
487.56 | 6 | 1 | -0.44 | 119.57 | 8.67 | |
| MC-3200 |  |
588.71 | 7 | 3 | 1.85 | 134.66 | 10.18 | |
| MC-3210 |  |
606.76 | 6 | 2 | 3.34 | 117.28 | 12.59 | |
| MC-3212 |  |
511.54 | 8 | 4 | -1.46 | 185.71 | 9.47 | |
| MC-3228 |  |
579.70 | 7 | 3 | 1.32 | 129.31 | 10.91 | |
| MC-3253 |  |
540.59 | 6 | 4 | 0.92 | 137.07 | 9.13 | |
| MC-3260 |  |
599.77 | 7 | 2 | 2.05 | 120.52 | 12.22 | |
| MC-3288 |  |
610.71 | 8 | 4 | 1.58 | 155.53 | 11.42 | |
| MC-3292 |  |
579.70 | 7 | 4 | 1.36 | 138.10 | 11.30 | |
| MC-3297 |  |
543.66 | 7 | 3 | 0.54 | 129.31 | 10.16 | |
| MC-3300 |  |
646.74 | 8 | 4 | 2.62 | 155.53 | 12.43 | |
| MC-3303 |  |
553.62 | 8 | 5 | -0.69 | 158.33 | 10.44 | |
| MC-3310 |  |
605.69 | 7 | 4 | 0.86 | 157.38 | 9.78 | |
| MC-3314 |  |
653.78 | 7 | 3 | 2.44 | 129.31 | 10.99 | |
| MC-3318 |  |
515.61 | 6 | 3 | 0.30 | 137.15 | 9.87 | |
| MC-3322 |  |
644.74 | 6 | 3 | 3.15 | 126.07 | 10.87 | |
| MC-3327 |  |
574.72 | 7 | 3 | 2.04 | 135.30 | 13.36 | |
| MC-3331 |  |
629.71 | 8 | 5 | 1.26 | 158.33 | 11.20 | |
| MC-3351 |  |
579.70 | 7 | 3 | 1.32 | 129.31 | 10.91 | |
| MC-3353 |  |
543.62 | 6 | 3 | 1.51 | 129.73 | 9.82 | |
| MC-3359 |  |
575.67 | 6 | 3 | 1.02 | 137.15 | 9.35 | |
| MC-3362 |  |
621.13 | 6 | 4 | 3.28 | 134.86 | 11.59 | |
| MC-3365 |  |
629.71 | 8 | 5 | 1.26 | 158.33 | 11.20 | |
| MC-3371 |  |
607.71 | 8 | 4 | 0.57 | 149.54 | 10.46 | |
| MC-3379 |  |
549.67 | 6 | 2 | 1.31 | 111.29 | 9.76 |
| Select | Name | Assay | Endpoint | Value | Unit | Standardized Value | Source |
|---|---|---|---|---|---|---|---|
| MC-2176 | PAMPA | Log Peff | -5.793 | -5.79 | (Rzepiela et al., 2022) |
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