71749057 -OEChem-10261720123D 62 64 0 1 0 0 0 0 0999 V2000 2.1195 2.7063 3.9942 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 -4.2736 0.4766 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 0.8683 -1.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -1.7681 1.9352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 -4.4359 1.9176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 -5.4281 -0.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 1.2817 -2.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 3.6788 -1.6334 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 -1.2399 0.2077 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 -3.1177 0.0298 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 0.8805 -0.7481 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 -0.0577 0.8106 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1011 0.1267 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 1.1826 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2532 0.5901 -1.0553 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9567 1.6374 -0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 1.8405 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -2.0031 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 -3.4324 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -2.1038 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 -2.6137 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 -3.5868 -1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 -1.3942 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -1.9496 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -2.9225 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 -0.0034 -1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4422 1.4588 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 2.3694 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 3.4407 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 2.1427 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 4.2850 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 2.9869 2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 4.0581 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0999 4.7961 -1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -0.2069 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -0.8021 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5735 0.8667 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 0.9992 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 2.0033 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 -0.2153 -1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 2.5727 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5081 0.8947 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8335 2.6906 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 2.1147 -2.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -1.4982 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7095 1.1589 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -3.2633 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -2.4766 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -4.2126 -1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -2.0014 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 -1.3048 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -1.3174 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -3.0477 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 0.4582 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.0852 -2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 1.1384 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 1.2982 1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 5.1359 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 4.7233 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 4.8311 -2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3808 5.7399 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0847 4.6767 -1.4298 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 > DBMET01805 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VFBAJFAMXTVSQA-ROUUACIJSA-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-ROUUACIJSA-N > C23H28ClN3O6S > 510.0 > 509.1387345 > 6 > 62 > 51.217381869768474 > 1 > 4 > 0 > 0 > 5-chloro-N-(2-{4-[({[(1S,3S)-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,3S)-3-hydroxycyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}-2-methoxybenzamide > 0 $$$$