78598 -OEChem-10051723573D 19 20 0 0 0 0 0 0 0999 V2000 -2.8877 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 1.5002 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -0.5383 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 0.6379 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5316 -0.2887 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4075 -1.7612 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -1.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 0.7505 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3932 1.1912 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 1.8694 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -2.7626 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 2.5103 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.4425 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 1.2025 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 1.7308 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 1.1221 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 1.7309 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB04130 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ILMHAGCURJPNRZ-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=C(C=C1)N=CN2 > InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10) > ILMHAGCURJPNRZ-UHFFFAOYSA-N > C8H8N2O > 148.1619 > 148.063662888 > 2 > 19 > 0.10725452372136139 > 15.236697414925136 > 1 > 1 > 0 > 0 > 6-methoxy-1H-1,3-benzodiazole > 1.41 > 1.1018327333333333 > -1.42 > 0 > 0 > 2 > 0 > 12.183808448870447 > 6.079717322963635 > 37.91 > 41.43169999999999 > 1 > 1 > 5.60e+00 g/l > biotin > 1 $$$$