6852193 -OEChem-10051721083D 29 30 0 0 0 0 0 0 0999 V2000 -0.2012 2.3463 0.0743 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -2.2196 1.3414 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -2.6326 -0.3527 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 -2.0184 -1.1493 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -2.2688 1.0008 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1565 1.9605 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 1.7158 0.3115 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 0.5598 0.2451 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -0.3139 -0.6149 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.1828 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 1.4969 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -0.3904 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -0.2586 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 0.8493 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.7993 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.9046 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 2.9699 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5887 -0.4219 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 -0.6622 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 -1.2797 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 2.9050 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 3.1350 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 3.7838 0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 0.4992 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -1.2383 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6267 -1.1776 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 0.1532 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 -0.7015 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -3.0325 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 19 1 0 0 0 0 2 29 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END > DB07733 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDKGQVZBBSICLG-UHFFFAOYSA-N/SDF?record_type=3d > CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F > InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17) > HDKGQVZBBSICLG-UHFFFAOYSA-N > C10H10F3N3OS2 > 309.331 > 309.021737952 > 2 > 29 > -0.0008480423352524229 > 27.769663441013922 > 1 > 2 > 0 > 1 > 1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide > 2.84 > 2.431543734 > -3.87 > 0 > 0 > 2 > 0 > 13.96251975688207 > 10.071266249968602 > -1.1441793982380086 > 46.92 > 79.15519999999998 > 4 > 1 > 4.21e-02 g/l > tetrahydrofolic acid > 0 $$$$