22612662 -OEChem-04182410302D 80 84 0 0 0 0 0 0 0999 V2000 14.2688 3.1137 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 -0.5464 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8599 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 3.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -4.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 1.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -3.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2508 -3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2688 -2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 -3.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 -1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 -0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 2.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5644 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -2.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7734 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2508 4.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6111 -1.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8458 -3.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 -3.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 -1.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 -4.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5975 -4.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8648 -2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3143 -4.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7828 -3.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 -1.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4378 -0.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1136 -0.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1709 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1308 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5212 -1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3398 -0.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0256 0.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6152 4.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7524 4.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8863 5.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 -4.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 3 41 1 0 0 0 0 4 28 2 0 0 0 0 5 32 1 0 0 0 0 5 42 1 0 0 0 0 6 35 1 0 0 0 0 6 43 1 0 0 0 0 7 38 1 0 0 0 0 7 44 1 0 0 0 0 8 40 1 0 0 0 0 8 80 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 60 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 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 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 61 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 37 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 62 1 0 0 0 0 32 36 2 0 0 0 0 33 36 1 0 0 0 0 33 63 1 0 0 0 0 34 40 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 38 2 0 0 0 0 37 39 2 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 39 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 M END > 22612662 > 1 > 961 > 9 > 2 > 12 > AAADcfB/OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+79iPZvPlvruUMSpuwRva6af43fPeBUABAwAKSAAKgAIGABSQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,5-dimethoxy-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-4,5-dimethoxy-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,5-dimethoxyindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,5-dimethoxyindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,5-dimethoxy-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,5-dimethoxy-indol-1-yl]acetic acid > InChI=1S/C32H36ClN3O7S/c1-40-24-12-11-22-19(30(24)43-4)14-23(36(22)17-28(37)38)31(39)35-32-34-29(20-15-26(42-3)21(33)16-25(20)41-2)27(44-32)13-10-18-8-6-5-7-9-18/h11-12,14-16,18H,5-10,13,17H2,1-4H3,(H,37,38)(H,34,35,39) > KNMAHODWYDYBNW-UHFFFAOYSA-N > 7.8 > 641.1962494 > C32H36ClN3O7S > 642.2 > COC1=C(C2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O)OC > COC1=C(C2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O)OC > 149 > 641.1962494 > 0 > 44 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 8 10 23 8 12 27 8 12 29 8 2 21 8 2 23 8 21 22 8 24 25 8 24 26 8 25 33 8 26 32 8 27 31 8 29 30 8 29 37 8 30 31 8 30 35 8 32 36 8 33 36 8 35 38 8 37 39 8 38 39 8 $$$$