1202104 -OEChem-10051721123D 41 44 0 0 0 0 0 0 0999 V2000 3.8860 2.2278 0.4703 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 2.2802 -0.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -1.9921 0.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 0.3073 0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6733 -0.2538 -0.5769 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -2.7819 -0.8003 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0585 0.2445 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6593 -1.0132 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 1.1012 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -0.9881 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 0.7625 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3795 0.5374 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5576 -2.0514 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3083 -0.4967 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 0.1869 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.7863 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9007 -1.7803 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 1.6550 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 0.6324 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 2.2318 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 0.7319 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5906 0.0976 -1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 0.2065 1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -1.5999 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -1.0703 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3826 -0.9614 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 1.5299 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -3.0394 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -0.5899 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 2.2390 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6325 -2.5777 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.1768 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 3.0255 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3495 -0.9987 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9743 0.6647 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9022 0.4955 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 0.6902 1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 -1.5580 -2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0777 -1.3646 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7607 -3.2438 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5503 -3.1649 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 26 2 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END > DB07971 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FQQVTDIBUYSVHM-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC=C(SC2=CC=C(C=C2)N2C(=O)C3=C(C=C(N)C=C3)C2=O)C=C1 > InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2 > FQQVTDIBUYSVHM-UHFFFAOYSA-N > C20H15N3O2S > 361.417 > 361.088497429 > 4 > 41 > 0.0006763779835332785 > 38.569450261545384 > 1 > 2 > 0 > 1 > 5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-2,3-dihydro-1H-isoindole-1,3-dione > 3.12 > 3.105955108333333 > -4.95 > 0 > 0 > 4 > 0 > 3.8304945811876165 > 89.42 > 106.07400000000001 > 3 > 1 > 4.08e-03 g/l > tetrahydrofolic acid > 0 $$$$