9852211 -OEChem-05142403572D 75 79 0 0 0 0 0 0 0999 V2000 13.4028 -2.8435 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 0.8166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -2.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -3.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.0076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 2.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 4.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 4.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -2.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -3.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 -3.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -4.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -1.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 38 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 29 2 0 0 0 0 6 33 1 0 0 0 0 6 42 1 0 0 0 0 7 40 1 0 0 0 0 7 75 1 0 0 0 0 8 40 2 0 0 0 0 9 21 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 29 1 0 0 0 0 10 58 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 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 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 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 2 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 29 1 0 0 0 0 24 30 2 0 0 0 0 25 34 2 0 0 0 0 26 28 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 30 60 1 0 0 0 0 31 37 2 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 36 2 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 35 38 2 0 0 0 0 35 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 M END > 9852211 > 1 > 929 > 7 > 2 > 10 > AAADcfB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQBDIQAKCAAKAIZCABQQAAAAAAAAAA== > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]acetic acid > 2-[5-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-7-methyl-1-indolyl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methylindol-1-yl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methylindol-1-yl]acetic acid > 2-[5-chloranyl-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]ethanoic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]acetic acid > InChI=1S/C31H33Cl2N3O5S/c1-17-11-20(32)12-19-13-23(36(29(17)19)16-27(37)38)30(39)35-31-34-28(21-14-25(41-3)22(33)15-24(21)40-2)26(42-31)10-9-18-7-5-4-6-8-18/h11-15,18H,4-10,16H2,1-3H3,(H,37,38)(H,34,35,39) > CFQABQGBWXICEA-UHFFFAOYSA-N > 8.8 > 629.1517977 > C31H33Cl2N3O5S > 630.6 > CC1=CC(=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O)Cl > CC1=CC(=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O)Cl > 131 > 629.1517977 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 24 8 11 26 8 20 21 8 23 25 8 23 27 8 24 30 8 25 34 8 26 28 8 26 31 8 27 33 8 28 30 8 28 35 8 3 20 8 3 22 8 31 37 8 33 36 8 34 36 8 35 38 8 37 38 8 9 21 8 9 22 8 $$$$