148184 -OEChem-10061700053D 33 35 0 0 0 0 0 0 0999 V2000 -1.6028 2.0940 -1.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 0.4601 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.2317 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 0.1419 0.9019 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -1.8085 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.7336 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 -1.8957 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8835 0.6074 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 -0.5298 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4329 1.2055 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 0.9284 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6925 -0.0249 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5423 1.6152 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -0.3066 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 0.3889 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 1.3406 1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -1.4642 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 -0.7871 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 -1.5741 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 -2.7794 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 -1.0482 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -0.6288 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.6066 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 -2.2815 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0432 1.3442 -0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 0.9964 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -0.1758 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 -0.6498 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 -0.5619 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 2.3629 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 1.8858 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 -2.2136 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5831 -0.9663 0.5058 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 9 1 0 0 0 0 2 10 1 0 0 0 0 3 14 2 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > DB06247 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ANDGGVOPIJEHOF-UHFFFAOYSA-N/SDF?record_type=3d > O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2 > InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2 > ANDGGVOPIJEHOF-UHFFFAOYSA-N > C14H15N3O > 241.2884 > 241.121512117 > 3 > 33 > 1.239189310477609e-06 > 26.12696655498546 > 1 > 0 > 0 > 1 > 6-(piperidine-1-carbonyl)quinoxaline > 1.56 > 1.4474369273333334 > -2.46 > 0 > 0 > 3 > 0 > 1.1262504140133083 > 46.09 > 68.46419999999999 > 1 > 1 > 8.31e-01 g/l > biotin > 0 $$$$