448488 -OEChem-04232016353D 22 23 0 0 0 0 0 0 0999 V2000 -1.4364 -2.5665 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 1.3785 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2801 -0.4358 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 1.7964 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.5278 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -0.8569 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 -1.7427 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 0.1390 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -1.3543 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -1.2388 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 2.4890 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 0.8430 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 2.3806 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -2.8185 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 0.5086 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -1.9212 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 2.9595 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 2.7008 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 2.9592 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7735 2.7864 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 1.5362 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 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 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > DB01825 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NLLZAHIPYDRNRQ-UHFFFAOYSA-N/SDF?record_type=3d > [H]N([H])C1=NC(=O)C2=CC=CC(C)=C2N1[H] > InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13) > NLLZAHIPYDRNRQ-UHFFFAOYSA-N > C9H9N3O > 175.1873 > 175.074561925 > 4 > 22 > 0.0011360322661685303 > 17.678244369449324 > 1 > 2 > 0 > 1 > 2-amino-8-methyl-1,4-dihydroquinazolin-4-one > 0.73 > 1.5280938243333333 > -2.20 > 0 > 0 > 2 > 0 > 13.954359364231664 > 4.055922005691407 > 67.48 > 50.7965 > 0 > 1 > 1.12e+00 g/l > (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one > 0 $$$$