6540289 -OEChem-10051720583D 28 30 0 0 0 0 0 0 0999 V2000 5.1477 0.9007 0.0021 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 -2.8070 -0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 2.6714 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 -1.4327 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 -0.8963 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 0.1893 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -0.5758 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 0.7919 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -0.8839 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 0.5296 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 1.2162 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 1.4549 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -1.7088 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 1.0773 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -2.2029 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 2.5960 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 -1.1522 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -2.7914 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 2.1551 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4056 -2.0935 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 -2.7399 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 -2.7291 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8099 3.1359 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 3.1348 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 2.6234 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.8154 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -3.0188 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB07218 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AYKGPCNWPACUQV-UHFFFAOYSA-N/SDF?record_type=3d > CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O > InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3 > AYKGPCNWPACUQV-UHFFFAOYSA-N > C12H10ClN3O2 > 263.68 > 263.046154286 > 4 > 28 > -1.9292778198068023e-07 > 25.895446259175742 > 1 > 1 > 0 > 1 > 6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one > 1.83 > 0.7481999999999998 > -2.25 > 0 > 0 > 3 > 0 > 13.354090721826893 > 0.39718758731035714 > 58.36000000000001 > 88.69859999999997 > 0 > 1 > 1.48e+00 g/l > biotin > 0 $$$$