29981563 -OEChem-10261720123D 62 64 0 1 0 0 0 0 0999 V2000 -5.5300 -2.5151 3.1748 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 3.0802 1.1221 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3223 -2.0545 -1.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.1697 2.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 3.0058 2.5613 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 4.1413 0.5242 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 0.9771 -0.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -1.5742 -1.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 -0.7493 0.4221 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 1.5715 0.5353 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 0.9180 -1.4775 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 -2.1332 0.8060 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8059 -2.9636 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -2.7366 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -3.2576 -1.0145 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4699 -2.9839 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 -3.8451 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 0.2971 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 3.1622 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 3.2921 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 2.6469 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 3.7425 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 3.3616 -1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 2.7121 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 3.8074 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 2.1388 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0813 0.4308 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -0.8294 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 -1.7793 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 -1.0574 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 -2.9571 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 -2.2350 1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -3.1848 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -2.5992 -1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -2.1489 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 -2.4420 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -3.9191 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -2.0854 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 -3.6923 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8026 -3.9581 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -3.4923 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -2.0275 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -4.8518 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8093 -3.9420 -2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 -0.5374 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 -2.2712 -2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0767 1.5904 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 2.1879 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 4.1429 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 4.2645 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3609 3.4845 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 2.3076 1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 4.2585 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 2.2777 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 2.0166 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 0.4281 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4346 -0.3181 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -3.7414 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -4.1068 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 -2.2584 -2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 -3.5289 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -2.7478 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 46 1 0 0 0 0 4 18 2 0 0 0 0 7 27 2 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 45 1 0 0 0 0 10 18 1 0 0 0 0 10 47 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 22 25 2 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > DBMET01806 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VFBAJFAMXTVSQA-ZWKOTPCHSA-N/SDF?record_type=3d > [H]N(C(=O)C1=C(OC([H])([H])[H])C([H])=C([H])C(Cl)=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(=O)N([H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O)C1([H])[H] > InChI=1S/C23H28ClN3O6S/c1-33-21-10-7-16(24)13-20(21)22(29)25-12-11-15-5-8-19(9-6-15)34(31,32)27-23(30)26-17-3-2-4-18(28)14-17/h5-10,13,17-18,28H,2-4,11-12,14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,18+/m0/s1 > VFBAJFAMXTVSQA-ZWKOTPCHSA-N > C23H28ClN3O6S > 510.0 > 509.1387345 > 6 > 62 > 51.66025768206831 > 1 > 4 > 0 > 0 > 5-chloro-N-(2-{4-[({[(1S,3R)-3-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2-methoxybenzamide > 2.24 > 2.331597515000001 > -4.45 > 1 > 3 > -1 > 13.704385014729699 > 4.319972328652917 > -1.3552091069648426 > 133.82999999999998 > 128.606 > 7 > 0 > 1.83e-02 g/l > 5-chloro-N-{2-[4-({[(1S,3R)-3-hydroxycyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}-2-methoxybenzamide > 0 $$$$