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0 0 0 0 0 0 0 0 0 9.3007 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 -3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1738 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1328 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 4.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 4.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 4.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 0.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -3.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -3.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -4.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9193 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 26 1 0 0 0 0 3 41 1 0 0 0 0 4 33 1 0 0 0 0 4 42 1 0 0 0 0 5 29 2 0 0 0 0 6 34 1 0 0 0 0 6 43 1 0 0 0 0 7 40 1 0 0 0 0 7 79 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 59 1 0 0 0 0 11 24 1 0 0 0 0 11 25 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 44 1 0 0 0 0 13 15 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 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 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 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 23 26 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 28 1 0 0 0 0 25 31 2 0 0 0 0 26 35 2 0 0 0 0 27 34 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 30 61 1 0 0 0 0 31 36 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 37 1 0 0 0 0 34 38 2 0 0 0 0 35 38 1 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 M END > 22612671 > 1 > 943 > 8 > 2 > 11 > AAADcfB/OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRvY6af43fPeJQADAwAKCABKAAYGABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4-methoxy-7-methyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-4-methoxy-7-methyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4-methoxy-7-methylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4-methoxy-7-methylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4-methoxy-7-methyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4-methoxy-7-methyl-indol-1-yl]acetic acid > InChI=1S/C32H36ClN3O6S/c1-18-10-12-24(40-2)21-14-23(36(30(18)21)17-28(37)38)31(39)35-32-34-29(20-15-26(42-4)22(33)16-25(20)41-3)27(43-32)13-11-19-8-6-5-7-9-19/h10,12,14-16,19H,5-9,11,13,17H2,1-4H3,(H,37,38)(H,34,35,39) > IXSKIUYWZMHWPS-UHFFFAOYSA-N > 8.2 > 625.2013347 > C32H36ClN3O6S > 626.2 > CC1=C2C(=C(C=C1)OC)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > CC1=C2C(=C(C=C1)OC)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > 140 > 625.2013347 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 24 8 11 25 8 2 20 8 2 22 8 20 21 8 23 26 8 23 27 8 24 30 8 25 28 8 25 31 8 26 35 8 27 34 8 28 30 8 28 33 8 31 36 8 33 37 8 34 38 8 35 38 8 36 37 8 9 21 8 9 22 8 $$$$