24883477 -OEChem-10051721003D 38 40 0 1 0 0 0 0 0999 V2000 7.6381 -1.7940 -0.0733 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.5854 0.2028 1.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4161 -0.2879 -2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 1.9881 0.0453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 1.4734 -0.0323 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -0.3083 0.0916 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -0.4938 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 0.8886 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 0.5112 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 -0.3824 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -0.7172 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1456 -0.4096 0.3310 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8691 -0.3329 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 0.7986 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 -1.5777 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 0.8378 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 -1.3377 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 1.4715 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 -1.5531 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 0.8625 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8183 0.3142 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 -0.7687 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 0.6146 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 -1.6881 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 2.4700 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 -1.4470 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4478 -2.5365 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5232 1.7794 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8461 -2.4164 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4413 2.5484 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -1.2350 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -2.4920 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 1.8440 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9078 0.2408 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5686 1.3804 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4135 1.0503 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0359 -0.1399 2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8701 0.1886 -2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 37 1 0 0 0 0 3 21 1 0 0 0 0 3 38 1 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 24 1 0 0 0 0 12 21 1 0 0 0 0 12 26 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB07315 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SHCHFGSUYJUEBR-INIZCTEOSA-N/SDF?record_type=3d > [H][C@](O)(CO)C1=CC=C(NC(=O)C2=CC3=CC(Cl)=CC=C3N2)C=C1 > InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1 > SHCHFGSUYJUEBR-INIZCTEOSA-N > C17H15ClN2O3 > 330.766 > 330.077120063 > 3 > 38 > -1.6905919063506203e-05 > 34.96870179372343 > 1 > 4 > 0 > 1 > 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide > 2.60 > 2.290253705333333 > -3.98 > 0 > 0 > 3 > 0 > 13.640814943281972 > 11.778025648773006 > -2.980954294137794 > 85.35000000000001 > 90.1387 > 4 > 1 > 3.47e-02 g/l > biotin > 0 $$$$