8515 -OEChem-02112017393D 25 28 0 0 0 0 0 0 0999 V2000 0.4466 2.8877 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 -2.3043 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -2.4623 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 -0.2852 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -1.2061 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -0.7013 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2887 -0.9979 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2929 1.6743 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 1.7877 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 -0.3521 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 1.2453 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4908 1.0605 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -1.0001 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 0.3858 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 2.8731 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 -3.1370 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 -0.8970 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 -2.6289 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 2.3180 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4332 1.6050 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 -1.6555 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 0.7980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END > DB01782 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ACPOUJIDANTYHO-UHFFFAOYSA-N/SDF?record_type=3d > O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2 > InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16) > ACPOUJIDANTYHO-UHFFFAOYSA-N > C14H8N2O > 220.2261 > 220.063662888 > 2 > 25 > 0.9004744517689542 > 22.715243475078836 > 1 > 1 > 0 > 1 > 14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one > 2.76 > 2.8154905973333335 > -3.07 > 0 > 0 > 4 > 0 > 10.020758357407562 > 0.9565368183101194 > 45.75 > 65.35480000000001 > 0 > 1 > 1.86e-01 g/l > 14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one > 0 $$$$