3715 -OEChem-11211817283D 41 43 0 0 0 0 0 0 0999 V2000 -6.4605 -0.6873 -0.4755 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -4.1996 0.1599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 3.0552 0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 1.9022 -0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.4661 -1.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 1.1175 0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 0.7090 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 -0.5348 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -0.2703 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 1.6927 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 0.9126 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -1.8696 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -1.3224 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 3.1540 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 1.8304 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 -2.9103 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -2.6377 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 1.2091 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 1.0638 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 0.8612 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 0.9746 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4008 0.2748 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.3881 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 0.0381 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -5.2172 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 0.0632 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 1.7940 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 -2.0918 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -1.1741 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 3.4082 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 3.6751 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 3.5636 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8858 -3.4052 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 1.0411 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 1.2433 -2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9706 0.0067 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 0.2090 -2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 -5.1361 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 -5.2341 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -6.1784 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 1.9754 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 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 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > DB00328 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CGIGDMFJXJATDK-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O > InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) > CGIGDMFJXJATDK-UHFFFAOYSA-N > C19H16ClNO4 > 357.788 > 357.076785712 > 4 > 41 > 36.6407178471318 > 1 > 1 > 0 > 1 > 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid > 4.25 > 3.529674379666666 > -5.17 > 0 > 3 > -1 > 3.792034215215617 > -2.9292484921341906 > 68.53 > 94.8106 > 4 > 1 > 2.40e-03 g/l > indomethacin > 0 $$$$