3137930 -OEChem-10051721183D 27 28 0 0 0 0 0 0 0999 V2000 0.1216 -2.5874 0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9972 2.0736 0.1554 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 0.5590 -0.1563 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 -1.7585 -0.1934 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 0.2213 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2931 1.3139 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7797 -1.1564 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 0.4969 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 0.2405 -1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1602 1.0130 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -1.4399 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -0.2924 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 -0.4655 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 1.7820 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 1.4175 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 2.2846 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3578 -1.9480 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 -1.2412 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 -0.2645 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7052 0.4947 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0228 1.4732 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.2169 -1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 0.0352 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -0.5131 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 2.6238 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 -1.8094 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -2.4895 -0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 10 1 0 0 0 0 2 14 2 0 0 0 0 3 13 2 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 25 1 0 0 0 0 M END > DB08316 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DYPFWRCGECJCBK-UHFFFAOYSA-N/SDF?record_type=3d > CC1(C)CC(=O)C2=C(N)N=CN=C2C1 > InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13) > DYPFWRCGECJCBK-UHFFFAOYSA-N > C10H13N3O > 191.2297 > 191.105862053 > 4 > 27 > 0.0073235425188329095 > 20.026469094255397 > 1 > 1 > 0 > 1 > 4-amino-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-one > 0.69 > 1.2341280623333333 > -1.64 > 0 > 0 > 2 > 0 > 16.7117216728348 > 3.9021258848054488 > 68.87 > 54.6048 > 0 > 1 > 4.40e+00 g/l > biotin > 0 $$$$