44230999 -OEChem-05201910473D 65 68 0 1 0 0 0 0 0999 V2000 -4.6702 -0.3307 -1.2170 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 -1.6934 -1.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9346 0.7736 -2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8634 -1.7352 0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 -0.7296 1.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -0.1509 -0.5355 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.0894 -1.4097 0.2747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 2.5008 -0.3778 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -1.4763 0.4118 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0132 1.3552 1.6053 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 2.6515 -1.5929 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 1.1349 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -1.3129 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 1.4981 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.7524 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7267 -0.1227 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 1.6809 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 1.6517 -1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 2.1711 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 -2.4706 -1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 2.0173 1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 1.9883 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 -1.2113 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 1.1285 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -1.8080 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 -2.8627 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 -2.5291 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -1.0182 2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 -1.8543 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3642 0.2731 2.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 2.7023 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -1.3368 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -1.3612 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 3.0053 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 2.9596 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -2.3717 1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4451 0.0458 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 1.0924 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 1.9501 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -2.1685 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 -1.0814 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 1.5618 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 1.5144 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -2.7269 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 2.1427 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 2.0967 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -2.2157 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 2.0210 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 -3.4269 -3.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.8491 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2547 -1.8518 2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 -0.9451 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -2.9449 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 -1.4000 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0155 0.4770 3.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 2.6267 1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7199 -1.3052 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 3.2282 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 3.1378 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 -2.4714 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -2.1070 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7372 -3.3572 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 0.0584 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 0.3690 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 0.7822 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 33 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 15 2 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 31 1 0 0 0 0 9 25 1 0 0 0 0 9 29 1 0 0 0 0 9 52 1 0 0 0 0 10 24 1 0 0 0 0 10 30 2 0 0 0 0 11 35 2 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 24 2 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 26 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 33 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 34 2 0 0 0 0 31 56 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 32 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 M END > DB15071 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VIQCWEGEHRBLAC-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1 > InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30) > VIQCWEGEHRBLAC-UHFFFAOYSA-N > C26H28N6O4S > 520.61 > 520.18927458 > 7 > 65 > 53.4187764878972 > 0 > 1 > 0 > 0 > propan-2-yl 2-({6-[(N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyridine-3-sulfonamido)methyl]pyridin-2-yl}amino)acetate > 3.08 > 2.6720164953333336 > -4.51 > 1 > 4 > 0 > 2.6196849696419755 > 119.31 > 141.2886 > 11 > 0 > 1.62e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$