9852980 -OEChem-05201308012D 75 79 0 0 0 0 0 0 0999 V2000 13.4207 0.1174 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0357 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9645 -0.9588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0357 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.0357 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.0357 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6182 -1.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 2.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2451 1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 5.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 4.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7735 0.4424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.5357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.8404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 -3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 -4.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1628 -3.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 -5.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5696 -4.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 -5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 -2.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3494 -2.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9426 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 -0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 3.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4262 0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 4.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2060 -2.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2397 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -3.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 -4.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 -4.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 -3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1196 -3.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 -5.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 -6.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0003 -5.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0836 -4.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8109 -6.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 -5.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -2.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2476 -3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7801 -2.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 -1.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 0.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4795 1.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 4.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3744 3.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3839 -1.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7044 -3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 -3.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 -2.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3045 1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8563 1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1749 2.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8037 5.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 41 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 42 1 0 0 0 0 5 42 1 0 0 0 0 6 42 1 0 0 0 0 7 29 1 0 0 0 0 7 44 1 0 0 0 0 8 32 2 0 0 0 0 9 36 1 0 0 0 0 9 45 1 0 0 0 0 10 43 1 0 0 0 0 10 75 1 0 0 0 0 11 43 2 0 0 0 0 12 24 1 0 0 0 0 12 25 2 0 0 0 0 13 25 1 0 0 0 0 13 32 1 0 0 0 0 13 61 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 31 1 0 0 0 0 28 34 2 0 0 0 0 29 37 2 0 0 0 0 30 36 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 38 2 0 0 0 0 33 63 1 0 0 0 0 34 39 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 40 2 0 0 0 0 37 40 1 0 0 0 0 37 67 1 0 0 0 0 38 41 1 0 0 0 0 38 66 1 0 0 0 0 39 41 2 0 0 0 0 39 68 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 M END > 9852980 > 1 > 1030 > 10 > 2 > 10 > AAADceB7OYBGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHwYQCAAADQ7B3jYz3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQBDIQAKCAAKAIZCABQQAAAAAAAAAA== > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-(trifluoromethyl)indol-1-yl]acetic acid > 2-[5-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-7-(trifluoromethyl)-1-indolyl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-(trifluoromethyl)indol-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-(trifluoromethyl)indol-1-yl]ethanoic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-(trifluoromethyl)indol-1-yl]acetic acid > InChI=1S/C31H30Cl2F3N3O5S/c1-43-23-14-21(33)24(44-2)13-19(23)27-25(9-8-16-6-4-3-5-7-16)45-30(37-27)38-29(42)22-11-17-10-18(32)12-20(31(34,35)36)28(17)39(22)15-26(40)41/h10-14,16H,3-9,15H2,1-2H3,(H,40,41)(H,37,38,42) > YJYRFYGFCXFFOQ-UHFFFAOYSA-N > 9.4 > 683.123532 > C31H30Cl2F3N3O5S > 684.55321 > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C(F)(F)F)Cl)CCC5CCCCC5)OC)Cl > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C(F)(F)F)Cl)CCC5CCCCC5)OC)Cl > 131 > 683.123532 > 0 > 45 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 12 24 8 12 25 8 14 27 8 14 28 8 23 24 8 26 29 8 26 30 8 27 33 8 28 31 8 28 34 8 29 37 8 3 23 8 3 25 8 30 36 8 31 33 8 31 38 8 34 39 8 36 40 8 37 40 8 38 41 8 39 41 8 $$$$