9809729 -OEChem-05092401232D 72 76 0 0 0 0 0 0 0999 V2000 13.4028 -2.5886 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.0716 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -0.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -4.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.5464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 3.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 4.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -3.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -1.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 3.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 2.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 3.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 2.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 3.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 5.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 4.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 4.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 0.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 0.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -3.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -3.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -0.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -4.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 37 1 0 0 0 0 3 39 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 28 2 0 0 0 0 8 40 1 0 0 0 0 8 72 1 0 0 0 0 9 40 2 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 58 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 33 2 0 0 0 0 26 32 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 31 1 0 0 0 0 30 37 1 0 0 0 0 31 60 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 40 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 M END > 9809729 > 1 > 933 > 7 > 2 > 10 > AAADceB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2nW+b9iOZvPlvruUMShuwRPY6af4yfCeBQBBIQILCAQKAIJCBBYQCAAAAAAAAA== > 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[4,5-dichloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid > 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[4,5-bis(chloranyl)-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid > 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > InChI=1S/C30H30Cl3N3O5S/c1-40-23-14-20(32)24(41-2)13-18(23)28-25(11-8-16-6-4-3-5-7-16)42-30(34-28)35-29(39)22-12-17-21(36(22)15-26(37)38)10-9-19(31)27(17)33/h9-10,12-14,16H,3-8,11,15H2,1-2H3,(H,37,38)(H,34,35,39) > SXINCQCTZSUDRH-UHFFFAOYSA-N > 9.1 > 649.097175 > C30H30Cl3N3O5S > 651.0 > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4Cl)Cl)CCC5CCCCC5)OC)Cl > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4Cl)Cl)CCC5CCCCC5)OC)Cl > 131 > 649.097175 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 8 10 23 8 12 27 8 12 29 8 21 22 8 24 25 8 24 26 8 25 33 8 26 32 8 27 31 8 29 30 8 29 36 8 30 31 8 30 37 8 32 35 8 33 35 8 36 38 8 37 39 8 38 39 8 4 21 8 4 23 8 $$$$