11544170 -OEChem-10051721163D 38 41 0 0 0 0 0 0 0999 V2000 -5.7760 -2.1171 1.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 -2.2224 -1.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 3.6358 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 2.8328 0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 1.4188 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.7139 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 2.6381 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 0.8305 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 0.2516 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0236 3.0855 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 0.3958 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -0.7660 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 1.6755 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 0.4073 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 0.3918 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 -0.4527 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -0.4681 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 -0.8904 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 -1.3365 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 -1.3210 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -2.4593 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7747 -2.4438 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -3.0129 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 -1.7871 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 -0.7284 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 3.7245 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 4.6257 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 1.8226 0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 0.7382 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 0.7108 2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 -0.7703 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 -0.7845 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 -0.9181 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -0.8905 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 -2.9026 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1017 -2.8750 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 -3.8871 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5478 -2.7224 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 38 1 0 0 0 0 2 24 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB08191 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KSFDVNIKNYXUIP-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1 > InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24) > KSFDVNIKNYXUIP-UHFFFAOYSA-N > C20H14N2O2 > 314.3374 > 314.105527702 > 3 > 38 > -0.9988796831449803 > 33.97075932671051 > 1 > 2 > 0 > 1 > 4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid > 4.25 > 3.8858185380500716 > -5.15 > 0 > -1 > 4 > -1 > 15.232863586614807 > 4.053396224692601 > 2.9231331953024897 > 65.98 > 92.46879999999999 > 3 > 1 > 2.25e-03 g/l > biotin > 0 $$$$