57697 -OEChem-10051719253D 25 27 0 0 0 0 0 0 0999 V2000 -0.7003 -2.0838 -0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.7116 0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 1.6534 -0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.0215 0.0099 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 1.2411 0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 -0.5243 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 0.8122 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 0.6023 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 0.7718 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 -0.9664 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 0.2584 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.7946 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -0.3235 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 1.4444 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 -1.6406 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 2.1609 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 0.1217 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -2.7884 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0445 -0.2497 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 2.3676 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 -2.4955 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 2.7022 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 2.1611 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 2.7121 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 -1.1242 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 8 2 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 17 2 0 0 0 0 5 7 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > DB00885 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HIANJWSAHKJQTH-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1 > InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15) > HIANJWSAHKJQTH-UHFFFAOYSA-N > C10H8N6O > 228.2101 > 228.075958908 > 5 > 25 > -0.9982260250963723 > 21.96159054389632 > 1 > 1 > 0 > 1 > 9-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one > 0.13 > 1.458706813333333 > -2.69 > 0 > -1 > 3 > -1 > 4.245680652197901 > 2.2149090658369848 > 87.13000000000001 > 63.350300000000004 > 1 > 1 > 4.62e-01 g/l > tetrahydrofolic acid > 0 $$$$