444704 -OEChem-10051721033D 38 41 0 1 0 0 0 0 0999 V2000 -0.3436 -0.9644 2.0299 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 1.0909 -2.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 -1.6860 0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 0.4989 0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 -0.2509 -0.3945 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -0.1883 0.5706 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6710 -1.3337 -0.2477 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6515 1.2955 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2834 -2.1448 0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 0.8749 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 1.8853 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6546 -0.9549 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 2.0739 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 -0.7079 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 3.2296 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -1.3706 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -1.2316 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 3.4381 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 4.0088 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -2.0655 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -1.9265 -1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 -2.3434 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2952 -1.2272 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 -1.9206 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 -2.5623 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -2.9635 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 1.6429 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 3.6727 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 -1.1477 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -0.9215 -2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 4.0668 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 5.0719 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -2.3849 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1146 -2.1419 -2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -2.8829 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9452 -2.1022 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -0.6180 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 -0.6590 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 10 2 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > DB07473 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JYIHODAXBBPFQF-MAUKXSAKSA-N/SDF?record_type=3d > COC(=O)[C@@H]1CS[C@]2(N1C(=O)C1=CC=CC=C21)C1=CC=CC=C1 > InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1 > JYIHODAXBBPFQF-MAUKXSAKSA-N > C18H15NO3S > 325.382 > 325.077264041 > 2 > 38 > 3.283465147841438e-10 > 33.09408158941193 > 1 > 0 > 0 > 1 > methyl (3R,9bR)-5-oxo-9b-phenyl-2H,3H,5H,9bH-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate > 2.93 > 3.4524676503333334 > -4.35 > 0 > 0 > 4 > 0 > -2.4836602697290893 > 46.61000000000001 > 88.84570000000002 > 3 > 1 > 1.47e-02 g/l > tetrahydrofolic acid > 0 $$$$