5070 -OEChem-10051719223D 20 21 0 0 0 0 0 0 0999 V2000 -2.3641 -1.6594 -0.2511 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -0.4337 1.4050 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 0.1279 0.2639 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2462 -1.6296 -0.3437 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 0.4570 -0.6871 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 0.7633 0.2622 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -0.8298 0.2889 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -0.4483 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 0.7896 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -0.5839 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.5612 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 1.9309 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.8033 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5269 -0.4658 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -0.3828 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.5550 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 2.9061 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 2.6869 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 -1.7925 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 -0.1532 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 M END > DB00740 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FTALBRSUTCGOEG-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2 > InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) > FTALBRSUTCGOEG-UHFFFAOYSA-N > C8H5F3N2OS > 234.198 > 234.007468097 > 3 > 20 > 0.0037278878765305643 > 18.587733568900283 > 1 > 1 > 0 > 1 > 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine > 2.83 > 3.3999074026666665 > -3.77 > 0 > 0 > 2 > 0 > 16.44059219702281 > 4.573084910451701 > 48.14 > 44.3727 > 2 > 1 > 3.95e-02 g/l > tetrahydrofolic acid > 0 $$$$