92249 -OEChem-02092011463D 22 23 0 0 0 0 0 0 0999 V2000 -0.9039 -1.5327 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 -1.8343 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -0.9579 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 0.7369 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 1.2568 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -0.6455 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 1.5512 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -1.2222 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 -0.3968 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 0.3896 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 0.9878 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 2.7385 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -1.0713 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 2.6352 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -2.3037 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 0.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 1.6450 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 3.2029 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 3.2029 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 2.9797 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 -1.9625 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -0.3562 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 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 > DB08168 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GLNDAGDHSLMOKX-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(=O)OC2=C1C=CC(N)=C2 > InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3 > GLNDAGDHSLMOKX-UHFFFAOYSA-N > C10H9NO2 > 175.184 > 175.063328537 > 2 > 22 > 0.00023293499027868096 > 17.932115086329503 > 1 > 1 > 0 > 1 > 7-amino-4-methyl-2H-chromen-2-one > 1.59 > 1.253828266333333 > -2.13 > 0 > 0 > 2 > 0 > 3.3673359050714766 > 52.32 > 50.531 > 0 > 1 > 1.30e+00 g/l > 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7-one > 0 $$$$