16070039 -OEChem-10051721013D 37 38 0 0 0 0 0 0 0999 V2000 -4.7798 -2.5545 -1.6805 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 2.3924 1.3836 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3704 1.5836 -0.3701 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 2.6108 1.1394 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 3.7594 -0.2145 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 3.5085 -0.6959 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 1.7240 -0.8886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 -2.4646 0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -2.6115 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 -2.2296 0.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -0.1332 -0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -0.3752 -0.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -0.7818 0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 -0.5170 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 0.5349 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 -1.7256 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 -0.8305 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 0.3781 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 -1.8824 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 -0.6735 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2546 -1.3218 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -1.4568 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 -1.1006 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1242 0.4920 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0984 -0.3333 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 1.2594 0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3331 -0.9944 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2638 0.8466 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 2.8965 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1038 -2.5868 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 1.1979 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 0.5302 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 -2.8396 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 0.1749 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 0.8222 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8774 -0.6405 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 -2.3297 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 26 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 29 1 0 0 0 0 7 15 1 0 0 0 0 7 29 1 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 27 1 0 0 0 0 10 37 1 0 0 0 0 11 27 2 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 28 1 0 0 0 0 25 36 1 0 0 0 0 26 28 2 0 0 0 0 M END > DB07395 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NWQGDIBCFLDHDO-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=CC=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C(OC(F)(F)F)=C1 > InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28) > NWQGDIBCFLDHDO-UHFFFAOYSA-N > C16H8ClF5N2O5 > 438.69 > 438.004190108 > 5 > 37 > -1.000678028278924 > 34.23495144186065 > 1 > 3 > 0 > 1 > 4-{[(2-chloro-4,5-difluorobenzoyl)carbamoyl]amino}-3-(trifluoromethoxy)benzoic acid > 3.83 > 4.698336437 > -5.57 > 0 > -1 > 2 > -1 > 9.829066603324703 > 3.9045617566163613 > -5.32720031265711 > 104.73 > 85.3982 > 5 > 1 > 1.18e-03 g/l > tetrahydrofolic acid > 0 $$$$