4020 -OEChem-10051719183D 33 36 0 1 0 0 0 0 0999 V2000 5.5137 -0.4561 -1.0735 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 0.2613 2.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 1.3748 0.2807 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 2.0860 -0.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 0.2229 0.8819 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1105 -0.8704 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 1.1011 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 2.7782 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 -0.3265 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 0.0534 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 3.2762 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.2372 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 -1.0875 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 0.0459 -0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -0.0970 1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -3.0337 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 -2.4654 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -0.1112 -1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -0.2538 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -0.2610 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 3.1335 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 3.1000 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 4.0123 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 3.7372 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 -2.6865 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 -0.6478 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 1.0362 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 0.1595 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.0977 2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -4.1107 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 -3.1134 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -0.1154 -2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4289 -0.3702 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 27 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 M END > DB00579 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPXSCAKFGYXMGA-UHFFFAOYSA-N/SDF?record_type=3d > OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1 > InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 > ZPXSCAKFGYXMGA-UHFFFAOYSA-N > C16H13ClN2O > 284.74 > 284.071640755 > 3 > 33 > 0.000698183617893094 > 29.487242593224494 > 1 > 1 > 0 > 1 > 5-(4-chlorophenyl)-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol > 2.64 > 3.4352790006666662 > -3.31 > 0 > 0 > 4 > 0 > 11.613320052308882 > 3.8591774104279892 > 35.83 > 79.42210000000003 > 1 > 1 > 1.39e-01 g/l > tetrahydrofolic acid > 1 $$$$