16741227 -OEChem-10311712503D 55 57 0 1 0 0 0 0 0999 V2000 7.1204 -1.3593 -2.0089 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 4.7866 -0.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 0.4387 -1.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -2.4880 1.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4004 -3.1186 -0.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 -0.6028 0.9323 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -0.4216 0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 0.2828 0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 1.3141 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4006 -0.8658 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0617 0.7539 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 0.4184 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 -0.7772 -1.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3890 2.6840 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 0.1625 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 1.5424 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -2.2004 1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -1.5501 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9491 -0.6695 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 3.4639 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 2.8981 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -2.1912 -1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 -1.5035 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3091 0.7238 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -1.5452 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4599 -1.4172 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -1.5006 -1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 -1.3727 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 5.5288 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 -1.4144 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8567 1.4339 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9638 -0.2461 1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 -0.0814 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 3.1343 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.1410 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -2.2657 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 -2.4241 2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 -2.9868 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 -0.6683 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -0.9284 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1581 -1.3822 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 3.4552 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1323 -2.2778 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8229 -2.4610 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7482 0.9874 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3747 0.7699 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1066 1.4788 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -1.6149 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -1.3814 2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 -4.0025 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4006 -1.5341 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5965 -1.3047 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 6.5595 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 5.1590 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 5.5633 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 20 1 0 0 0 0 2 29 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 50 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 33 1 0 0 0 0 14 20 2 0 0 0 0 14 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > DB07981 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKJWXEORYGBJFS-QGZVFWFLSA-N/SDF?record_type=3d > CC[C@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12 > InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1 > GKJWXEORYGBJFS-QGZVFWFLSA-N > C23H25ClN2O4 > 428.909 > 428.150285005 > 4 > 55 > 45.66071201498785 > 1 > 2 > 0 > 1 > 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[(2R)-1-hydroxybutan-2-yl]acetamide > 3.93 > 3.1954032393333325 > -5.06 > 1 > 3 > 0 > 15.417717349692527 > 14.847514118582147 > -1.771283532210794 > 80.56 > 116.76459999999996 > 7 > 1 > 3.71e-03 g/l > 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxybutan-2-yl]acetamide > 0 $$$$