2554 -OEChem-10051719183D 30 32 0 0 0 0 0 0 0999 V2000 1.0649 2.9296 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 0.8924 -0.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 2.8293 -0.9143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.1984 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 0.1925 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -1.0876 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.0920 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -1.8018 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.8031 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 0.8267 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 0.8106 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 -1.6980 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -1.7062 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 2.2626 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 0.2018 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 0.1821 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -1.0609 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 -1.0763 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -2.4020 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -2.4043 -2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 1.8059 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 1.7811 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -2.6824 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -2.6897 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 0.7029 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 0.6743 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 -1.5494 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 -1.5689 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 3.8055 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 2.2987 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > DB00564 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FFGPTBGBLSHEPO-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 > InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) > FFGPTBGBLSHEPO-UHFFFAOYSA-N > C15H12N2O > 236.2686 > 236.094963016 > 1 > 30 > -1.0830089478555786e-09 > 25.002490841556707 > 1 > 1 > 0 > 1 > 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide > 2.10 > 2.7660303863333335 > -3.19 > 0 > 0 > 3 > 0 > 15.958359453242029 > -3.75401813355273 > 46.33 > 71.88800000000002 > 0 > 1 > 1.52e-01 g/l > tetrahydrofolic acid > 0 $$$$