9852980 -OEChem-05072417372D 75 79 0 0 0 0 0 0 0999 V2000 13.4207 -0.2278 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1461 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9645 0.8484 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1461 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.1461 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.1461 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2561 -1.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 1.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -5.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -3.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7735 -0.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 3.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1628 3.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 4.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5696 4.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 5.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 5.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 2.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3494 1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9426 1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -3.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4262 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -4.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6628 -2.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6018 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 3.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1196 3.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 3.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 4.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 4.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0836 4.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0003 5.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 6.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 5.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8109 6.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2476 3.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7801 2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -0.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7728 1.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -0.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -3.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -4.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0906 -1.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0964 -2.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9150 -3.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -2.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5370 0.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6666 2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 -5.5196 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-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 > 683.1235321 > C31H30Cl2F3N3O5S > 684.6 > 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 > 683.1235321 > 0 > 45 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 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 $$$$