23647657 -OEChem-10051721043D 37 39 0 0 0 0 0 0 0999 V2000 5.0740 -0.2896 -0.1147 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -1.0744 -0.5885 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -2.5113 0.6002 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -2.5557 -0.6480 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2422 -2.1608 1.4825 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 1.2392 0.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3863 -0.7637 1.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -1.1956 -1.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4481 0.1562 0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0034 1.1062 -0.4389 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5534 -1.8047 -0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 -3.5011 -0.9953 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 0.3869 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 -0.4147 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 1.5186 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 0.1512 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 2.1043 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 1.7543 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 2.3201 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -1.8820 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8885 3.3801 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 1.9705 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 3.2932 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 1.3871 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 0.1081 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 -0.4761 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -2.2465 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 -0.4864 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 2.4327 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 3.3883 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 4.2712 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 4.1011 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6202 2.0445 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 1.4815 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 1.1858 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 -4.2284 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 -3.7449 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 2 27 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 9 26 2 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 26 1 0 0 0 0 11 27 2 0 0 0 0 12 27 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 33 1 0 0 0 0 25 26 1 0 0 0 0 M END > DB07538 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RGVVHQNJKUNSFQ-WDZFZDKYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O > InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6- > RGVVHQNJKUNSFQ-WDZFZDKYSA-N > C15H10F3N3O4S2 > 417.383 > 417.006481818 > 4 > 37 > -0.017399647176019092 > 36.15201752446837 > 1 > 3 > 0 > 1 > 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide > 2.80 > 1.9739728693333332 > -3.88 > 0 > 0 > 3 > 0 > 10.852894860274487 > 8.755367869931204 > 1.471132870045883 > 126.25 > 104.22919999999998 > 4 > 1 > 5.46e-02 g/l > tetrahydrofolic acid > 0 $$$$