17925 -OEChem-10051719363D 30 32 0 0 0 0 0 0 0999 V2000 -0.9368 -4.4373 0.2883 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 1.4572 -2.1683 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 3.4816 -0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 1.2333 -0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 1.7479 1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -0.4263 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 0.5993 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 -0.0875 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 0.3103 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -1.7786 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 2.0828 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 -1.1104 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 2.3424 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -2.7842 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -2.4506 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.6633 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -0.3294 1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 0.3734 -1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7662 -0.6193 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -0.2679 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -2.0697 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 1.3708 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 3.0013 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 1.3153 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7782 -0.8724 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.5998 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -3.2224 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9991 0.6404 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -1.1164 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 -0.4933 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 17 2 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > DB01511 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CHIFCDOIPRCHCF-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1 > InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20) > CHIFCDOIPRCHCF-UHFFFAOYSA-N > C15H10Cl2N2O > 305.159 > 304.017018366 > 2 > 30 > 6.113190570734906e-06 > 29.440928206000443 > 1 > 1 > 0 > 1 > 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one > 3.46 > 3.8160651750000003 > -4.68 > 0 > 0 > 3 > 0 > 12.293636772928373 > 2.049184533048918 > 41.46 > 81.50080000000003 > 1 > 1 > 6.42e-03 g/l > biotin > 0 $$$$