57339445 -OEChem-10051722523D 80 84 0 0 0 0 0 0 0999 V2000 10.7566 -1.1325 0.1199 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3402 -3.7156 0.4119 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -4.1582 -0.8616 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6362 -4.5033 -1.6316 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.7637 0.1092 -0.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0094 -0.4211 0.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6438 -2.3401 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8817 -2.3602 -1.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.0943 1.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5469 -0.0306 -0.3853 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 1.6110 -0.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7346 1.1536 0.5239 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 1.1786 -0.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8743 2.1612 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8948 1.8737 2.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5961 2.5304 2.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1236 1.0229 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 -0.6313 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4161 1.2021 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5087 2.2025 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 0.4043 -1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3168 2.5841 -1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1563 -1.4837 1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 2.2117 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 -2.4705 2.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7601 0.2749 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2964 2.0653 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 2.0134 -2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -2.7883 3.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 0.5733 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1379 -0.9022 -0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 -0.3057 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 1.7211 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 1.6690 -2.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 1.5228 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -1.7812 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8123 -1.4829 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 0.0219 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -0.3991 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 0.7583 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 0.6531 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0904 0.9897 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 -0.0834 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0113 1.0740 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -3.6867 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1079 2.9691 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6183 3.5814 2.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0452 0.8488 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7902 2.4830 2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8864 1.9442 3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3307 -1.4893 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -0.9714 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9807 0.9701 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 1.6604 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 3.0827 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 2.5345 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7595 0.6534 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3535 -0.0585 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 2.7333 -2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 3.5693 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3791 1.9924 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1482 -1.8973 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -0.5548 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0744 -2.0645 2.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1369 -3.4006 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 2.2223 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 2.1228 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4816 -1.8842 4.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 -3.2326 3.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2002 -3.4998 4.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1174 1.4930 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1629 -1.1999 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 1.6282 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.5176 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4734 -2.6901 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 1.0184 -1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 -0.9760 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8652 1.1004 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 -0.4253 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 1.6802 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 17 2 0 0 0 0 8 37 1 0 0 0 0 8 45 1 0 0 0 0 9 42 2 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 12 61 1 0 0 0 0 13 35 1 0 0 0 0 13 42 1 0 0 0 0 13 76 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 47 1 0 0 0 0 16 50 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 66 1 0 0 0 0 28 34 2 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 31 36 2 0 0 0 0 31 72 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 39 77 1 0 0 0 0 40 44 2 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END > DB12724 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MAQDQJWCSSCURR-UHFFFAOYSA-N/SDF?record_type=3d > CCCS(=O)(=O)N1CCN(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C3=CC(NC(=O)C4CC4)=CC=C3OC(F)(F)F)C=C2)CC1 > InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41) > MAQDQJWCSSCURR-UHFFFAOYSA-N > C32H35F3N4O5S > 644.71 > 644.228025906 > 6 > 80 > 65.94148953872644 > 0 > 2 > 0 > 0 > 5'-cyclopropaneamido-N-(4-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}phenyl)-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxamide > 4.57 > 5.702943223 > -5.51 > 1 > 5 > 0 > 14.370592573648825 > 13.713239596698994 > 6.049784204960995 > 108.05000000000001 > 163.9216 > 11 > 0 > 2.00e-03 g/l > 5'-cyclopropaneamido-N-(4-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}phenyl)-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxamide > 0 $$$$