2662 -OEChem-10051719163D 40 42 0 0 0 0 0 0 0999 V2000 4.7676 -1.6195 -0.0537 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -1.1414 0.0590 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4403 -2.7198 -1.0181 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -2.6771 1.1609 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 -2.5060 -1.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4593 -0.3433 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -0.6091 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -1.6491 0.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9611 -2.4846 1.4068 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 0.6098 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 -0.8476 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 1.8763 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 0.3453 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1133 -1.0599 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 0.0736 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 -2.0021 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 -1.3212 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 2.5033 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6685 2.4740 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -0.1643 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -2.2401 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 4.3255 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 3.7278 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 3.6985 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3333 -1.8842 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 5.6351 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 1.0660 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 0.8828 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 -2.7316 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9005 2.0620 2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 1.9975 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 0.5406 1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -3.1494 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 4.2074 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 4.1532 -2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 6.2224 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 6.2376 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 5.4730 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.4879 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -2.0089 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 M END > DB00482 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZEKVGVHFLEQIL-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F > InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) > RZEKVGVHFLEQIL-UHFFFAOYSA-N > C17H14F3N3O2S > 381.372 > 381.075882012 > 3 > 40 > -0.00025026846617957573 > 35.20020126143592 > 1 > 1 > 0 > 1 > 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide > 3.99 > 4.009441774333333 > -4.88 > 0 > 0 > 3 > 0 > 10.601417756077923 > -0.41074077454076713 > 77.98 > 92.23420000000002 > 4 > 1 > 5.03e-03 g/l > biotin > 0 $$$$