5288320 -OEChem-10051719403D 27 29 0 0 0 0 0 0 0999 V2000 1.4286 -1.8981 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 0.0632 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.1983 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6006 -0.3349 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 1.2244 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 3.0457 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 -0.5521 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4187 -0.9778 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 0.0513 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 1.4365 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 -0.7468 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 -1.8419 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7217 0.6924 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0704 -1.5786 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3428 1.9684 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -0.1173 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 1.9877 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 -2.6595 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 1.4066 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 -2.8730 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 2.0999 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -1.8306 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7931 -2.3880 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 3.0423 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -0.6950 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 4 15 2 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 19 3 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 2 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END > DB01685 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UBVZQGOVTLIHLH-UHFFFAOYSA-N/SDF?record_type=3d > N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1 > InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) > UBVZQGOVTLIHLH-UHFFFAOYSA-N > C13H8N6 > 248.2428 > 248.081044286 > 5 > 27 > -0.01673927223999261 > 25.38778604243247 > 1 > 1 > 0 > 1 > 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile > 1.47 > 1.817443675333333 > -3.50 > 0 > 0 > 3 > 0 > 8.748017530929532 > 3.9110149505553635 > 91.13999999999999 > 90.468 > 2 > 1 > 7.79e-02 g/l > biotin > 0 $$$$