9873371 -OEChem-06181301472D 75 79 0 0 0 0 0 0 0999 V2000 12.5368 -3.4981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 0.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -3.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 2.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5187 3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 -2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2478 2.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1738 1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 3.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1328 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 4.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 4.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 3.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 1.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 -0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -0.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -3.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -4.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -4.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -4.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -2.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9193 -1.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 4.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 28 2 0 0 0 0 5 32 1 0 0 0 0 5 41 1 0 0 0 0 6 39 1 0 0 0 0 6 75 1 0 0 0 0 7 39 2 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 28 1 0 0 0 0 9 57 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 33 2 0 0 0 0 24 28 1 0 0 0 0 24 29 2 0 0 0 0 25 32 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 34 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 29 59 1 0 0 0 0 30 36 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 36 37 2 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 M END > 9873371 > 1 > 894 > 7 > 2 > 10 > AAADcfB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCehQABQQAaCAAKAAKCADQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4-methyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-4-methyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4-methylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4-methyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4-methyl-indol-1-yl]acetic acid > InChI=1S/C31H34ClN3O5S/c1-18-8-7-11-23-20(18)14-24(35(23)17-28(36)37)30(38)34-31-33-29(21-15-26(40-3)22(32)16-25(21)39-2)27(41-31)13-12-19-9-5-4-6-10-19/h7-8,11,14-16,19H,4-6,9-10,12-13,17H2,1-3H3,(H,36,37)(H,33,34,38) > VZVMSBUIQNSYBC-UHFFFAOYSA-N > 8.2 > 595.19077 > C31H34ClN3O5S > 596.13676 > CC1=C2C=C(N(C2=CC=C1)CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > CC1=C2C=C(N(C2=CC=C1)CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > 131 > 595.19077 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > 14 > 1 5 255 > 10 24 8 10 26 8 19 20 8 2 19 8 2 21 8 22 23 8 22 25 8 23 33 8 24 29 8 25 32 8 26 27 8 26 34 8 27 29 8 27 30 8 30 36 8 32 35 8 33 35 8 34 37 8 36 37 8 8 20 8 8 21 8 $$$$