60196406 -OEChem-05231317472D 86 89 0 0 0 0 0 0 0999 V2000 11.9398 7.6175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 3.9574 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 11.8855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 13.2515 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 11.5195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 4.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 6.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 8.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 9.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 8.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 12.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 13.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 5.5754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 4.7664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 6.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 1.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 2.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 3.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 4.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 5.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4262 5.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 6.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 7.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 7.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 7.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 7.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 8.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 4.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 9.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5664 12.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 12.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6508 1.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 1.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8409 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 3.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 2.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 0.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2684 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 0.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 0.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 2.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1087 3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 4.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8418 7.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 7.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 7.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 5.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 7.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 8.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 7.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 3.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6965 4.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2861 8.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4233 9.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 9.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 8.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 12.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 3 48 1 0 0 0 0 4 48 1 0 0 0 0 5 48 1 0 0 0 0 6 28 1 0 0 0 0 6 46 1 0 0 0 0 7 33 2 0 0 0 0 8 37 1 0 0 0 0 8 47 1 0 0 0 0 9 45 1 0 0 0 0 9 85 1 0 0 0 0 10 45 2 0 0 0 0 11 49 1 0 0 0 0 11 86 1 0 0 0 0 12 49 2 0 0 0 0 13 25 1 0 0 0 0 13 26 2 0 0 0 0 14 26 1 0 0 0 0 14 33 1 0 0 0 0 14 65 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 50 1 0 0 0 0 17 20 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 51 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 38 2 0 0 0 0 29 37 1 0 0 0 0 29 66 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 34 1 0 0 0 0 32 39 2 0 0 0 0 34 67 1 0 0 0 0 35 41 1 0 0 0 0 35 43 1 0 0 0 0 36 45 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 42 2 0 0 0 0 38 42 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 41 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 48 49 1 0 0 0 0 M END > 60196406 > 1 > 1010 > 12 > 3 > 10 > AAADcfB/OYBEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHwYQCAAADQ7B3jYz3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid;2,2,2-trifluoroacetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid;2,2,2-trifluoroacetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid;2,2,2-trifluoroacetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid;2,2,2-tris(fluoranyl)ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid;2,2,2-trifluoroacetic acid > InChI=1S/C32H36ClN3O5S.C2HF3O2/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39);(H,6,7) > UJGBTZUTZSMGCO-UHFFFAOYSA-N > 723.199284 > C34H37ClF3N3O7S > 724.18669 > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(=O)(C(F)(F)F)O > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(=O)(C(F)(F)F)O > 168 > 723.199284 > 0 > 49 > 0 > 0 > 0 > 0 > 0 > 2 > 3 > 1 5 255 > 13 25 8 13 26 8 15 30 8 15 31 8 2 24 8 2 26 8 24 25 8 27 28 8 27 29 8 28 38 8 29 37 8 30 34 8 31 32 8 31 35 8 32 34 8 32 39 8 35 41 8 37 42 8 38 42 8 39 40 8 40 41 8 $$$$