2789 -OEChem-10051719133D 34 36 0 0 0 0 0 0 0999 V2000 -0.0754 -4.4844 0.9755 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 2.9072 0.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 2.9475 -0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 0.6075 0.3481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 0.6940 -0.6072 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -0.5457 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -0.5066 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 1.9205 1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 1.8674 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 1.9162 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 0.4293 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -1.8016 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -1.7328 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 0.6070 -1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -2.9882 0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -2.9547 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 -0.5080 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7862 1.1965 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -0.6804 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 1.0240 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 0.0855 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 2.8522 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 1.1096 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -1.8591 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -1.7600 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -0.0737 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 0.2708 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 1.5890 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -3.8649 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3902 -1.0849 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 1.8891 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7324 -1.4020 -2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 1.6092 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5016 -0.0491 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > DB00349 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CXOXHMZGEKVPMT-UHFFFAOYSA-N/SDF?record_type=3d > CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O > InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3 > CXOXHMZGEKVPMT-UHFFFAOYSA-N > C16H13ClN2O2 > 300.74 > 300.066555377 > 2 > 34 > -0.9382283956163769 > 30.06608101144058 > 1 > 0 > 0 > 1 > 7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione > 2.14 > 2.554375973333333 > -3.26 > 0 > -1 > 3 > -1 > 5.818480308549849 > -6.723067265850836 > 40.620000000000005 > 80.29860000000004 > 1 > 1 > 1.64e-01 g/l > tetrahydrofolic acid > 0 $$$$