60196406 -OEChem-04242414492D 86 89 0 0 0 0 0 0 0999 V2000 11.9398 1.4165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 5.0766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 12.7651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 11.3991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 11.0331 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 1.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 2.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 3.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 11.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 13.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 4.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 2.5968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 6.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 6.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 7.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 7.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 8.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 8.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 6.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 5.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 4.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 3.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4262 3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9578 2.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 11.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 12.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6508 7.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 6.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 6.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8409 8.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 7.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 6.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 7.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2684 9.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 8.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 8.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 6.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 6.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 4.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1087 5.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 4.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4911 4.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 4.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 1.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1524 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 0.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 0.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5934 2.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 2.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3223 3.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2972 12.2091 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 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 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-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 > 723.1992839 > C34H37ClF3N3O7S > 724.2 > 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 > 723.1992839 > 0 > 49 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 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 $$$$