448573 -OEChem-10051720143D 27 28 0 0 0 0 0 0 0999 V2000 -4.7183 -2.1566 1.0069 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -1.5460 -0.1060 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 1.9463 0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.4414 0.2211 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -0.2073 -0.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -0.4630 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 0.8604 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5705 0.5334 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0664 -0.6550 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.8323 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 -1.2906 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.3998 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -0.0662 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.7647 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.5601 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -0.4243 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3923 -1.5775 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 2.4002 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -2.3251 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 2.4310 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 0.9681 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -0.7057 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 -1.1171 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9796 0.9475 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 0.2135 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 -0.2690 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 -2.0679 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 14 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 17 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M END > DB03384 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JFUIHGAGFMFNRD-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1 > InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15) > JFUIHGAGFMFNRD-UHFFFAOYSA-N > C11H11FN2OS > 238.281 > 238.057611879 > 1 > 27 > -0.0008479471335253135 > 24.358223614547228 > 1 > 3 > 0 > 1 > 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide > 2.22 > 1.6143871529999998 > -3.96 > 0 > 0 > 2 > 0 > 14.284697934504965 > 10.071296269842716 > -1.310334607771356 > 44.89 > 63.6884 > 3 > 1 > 2.62e-02 g/l > biotin > 0 $$$$