708346 -OEChem-10051720573D 30 32 0 0 0 0 0 0 0999 V2000 -1.7005 -2.3016 -0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 -1.3981 -0.2324 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 1.8068 0.1595 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 2.2726 0.1737 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 0.0063 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 -0.2243 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.0695 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.1633 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 -1.3297 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 -2.7082 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 0.4501 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7176 -0.3294 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 2.2046 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 -3.3158 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 -0.2423 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 0.8072 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9571 2.0692 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -3.3678 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 -2.6756 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -1.2789 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 3.1987 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 2.4760 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -2.7062 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -3.4108 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 -4.3145 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -0.9604 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 0.4567 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -0.7875 -0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 0.7035 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5921 2.9474 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > DB07158 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ASEHARDUZDZEKS-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2 > InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15) > ASEHARDUZDZEKS-UHFFFAOYSA-N > C13H13N3O > 227.2618 > 227.105862053 > 2 > 30 > -0.03151617394495692 > 24.350024715044203 > 1 > 1 > 0 > 1 > 5-ethyl-3-methyl-1H,4H,5H-pyrazolo[4,3-c]quinolin-4-one > 2.05 > 1.3155394756666672 > -2.46 > 0 > 0 > 3 > 0 > 8.487556863517245 > 0.15228342440239961 > 48.99 > 66.69059999999999 > 1 > 1 > 7.83e-01 g/l > biotin > 0 $$$$