4197 -OEChem-10051719103D 25 26 0 0 0 0 0 0 0999 V2000 -3.8127 -1.1334 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.7829 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 0.7462 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 2.4975 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -0.2051 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 -1.4946 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 0.1220 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 0.8452 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 0.5855 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6369 -2.7059 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -0.8402 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 0.2774 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 0.2767 -1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 0.5870 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.5865 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 1.8720 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -2.7636 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -3.3177 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 -3.3172 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 -2.4720 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 0.1634 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 0.1622 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 0.7193 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 0.7183 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 16 3 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 M END > DB00235 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PZRHRDRVRGEVNW-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1 > InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16) > PZRHRDRVRGEVNW-UHFFFAOYSA-N > C12H9N3O > 211.2194 > 211.074561925 > 3 > 25 > -0.21892635960911871 > 21.453093738217703 > 1 > 1 > 0 > 1 > 2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carbonitrile > 1.04 > 0.32901938366666683 > -3.00 > 0 > 0 > 2 > 0 > 7.536810724750762 > 4.817991459099392 > 65.78 > 61.138100000000016 > 1 > 1 > 2.09e-01 g/l > tetrahydrofolic acid > 0 $$$$