4616 -OEChem-10051719243D 31 33 0 1 0 0 0 0 0999 V2000 -0.1439 4.4764 -1.0800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 -3.1800 -1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 -2.6678 1.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -0.4398 0.9569 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 -1.7970 -0.5518 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 0.6254 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -0.6403 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 0.6859 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 -0.5938 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -1.9165 -0.8383 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0366 1.8043 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 1.9383 0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -1.7318 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 3.0375 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 3.1065 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 0.3472 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -1.4916 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 0.3910 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.4476 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4407 -0.5063 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -1.1685 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1643 -0.2697 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 1.7688 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 2.0136 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 4.0614 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 1.0342 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -2.2273 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 1.1175 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5962 -2.1451 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5075 -0.4732 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -3.1203 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 31 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > DB00842 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ADIMAYPTOBDMTL-UHFFFAOYSA-N/SDF?record_type=3d > OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 > InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19) > ADIMAYPTOBDMTL-UHFFFAOYSA-N > C15H11ClN2O2 > 286.713 > 286.050905313 > 3 > 31 > -0.0002510723570505128 > 28.379214527709365 > 1 > 2 > 0 > 1 > 7-chloro-3-hydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one > 2.01 > 2.9232808116666664 > -3.51 > 0 > 0 > 3 > 0 > 12.46705502398967 > 10.607200533075812 > -1.4704519526445017 > 61.69 > 77.89440000000003 > 1 > 1 > 8.81e-02 g/l > tetrahydrofolic acid > 0 $$$$