92180 -OEChem-02092012063D 28 29 0 0 0 0 0 0 0999 V2000 -0.8325 -0.0954 0.4413 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 1.8069 0.1987 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 -1.7892 0.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 1.1290 -0.1868 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -1.2503 -0.2877 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 0.4457 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 -0.4802 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -1.0200 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 0.0483 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -0.2453 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 0.2580 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 2.1694 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2889 1.0296 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 0.0809 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 -2.0873 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 -1.6517 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.6978 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 0.8977 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 -0.0800 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 2.4350 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 3.2029 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 0.5248 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 1.1231 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2287 2.0395 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 1.0472 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 -0.3099 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.5956 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -3.1423 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 7 2 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 M END > DB08768 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYVABZIGRDEKCD-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)=CCNC1=NC=NC2=C1N=CN2 > InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) > HYVABZIGRDEKCD-UHFFFAOYSA-N > C10H13N5 > 203.2437 > 203.117095441 > 4 > 28 > 0.00920909217345207 > 22.096179271235663 > 1 > 2 > 0 > 1 > N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine > 1.20 > 1.1319374409999998 > -3.37 > 0 > 0 > 2 > 0 > 17.70336285532058 > 9.866037315107302 > 4.034977940441386 > 66.49000000000001 > 61.21089999999999 > 3 > 1 > 8.69e-02 g/l > 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7-one > 0 $$$$