3311 -OEChem-10051720063D 27 27 0 0 0 0 0 0 0999 V2000 -2.5700 -0.6015 -0.8162 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 -0.0569 -1.2386 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.0009 0.9234 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -1.7749 -0.0380 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 1.6711 0.3908 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2758 1.2534 -0.0637 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 0.1288 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 1.1561 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4078 0.9161 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 -0.1448 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.4297 -0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 0.3688 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 -0.4199 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4947 -1.7305 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 0.9638 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -3.1603 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 1.1418 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5818 -0.7569 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 2.0442 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.1509 2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 -1.6457 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -1.4614 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -3.2822 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3035 -3.4843 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -3.8352 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 2.1191 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 0.6318 -0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB02991 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LCMOXIFARISMOH-UHFFFAOYSA-N/SDF?record_type=3d > CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F > InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15) > LCMOXIFARISMOH-UHFFFAOYSA-N > C10H11F3N2S > 248.268 > 248.059503667 > 2 > 27 > 0.11298638918062555 > 22.820601892754542 > 1 > 1 > 0 > 1 > (E)-N'-[4-(trifluoromethyl)phenyl](ethylsulfanyl)methanimidamide > 3.41 > 3.5934360216666663 > -3.85 > 0 > 0 > 1 > 0 > 6.105095846697583 > 38.379999999999995 > 62.0244 > 4 > 1 > 3.53e-02 g/l > biotin > 1 $$$$