9809475 -OEChem-05092405532D 72 76 0 0 0 0 0 0 0999 V2000 13.4028 -2.8435 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 0.8166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -2.7245 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -2.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -3.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.0076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 2.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 4.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 4.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -4.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -1.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 39 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 36 1 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 28 2 0 0 0 0 8 40 1 0 0 0 0 8 72 1 0 0 0 0 9 40 2 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 58 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 33 2 0 0 0 0 26 32 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 30 1 0 0 0 0 29 36 2 0 0 0 0 30 31 1 0 0 0 0 30 37 2 0 0 0 0 31 60 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 40 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 M END > 9809475 > 1 > 935 > 8 > 2 > 10 > AAADceB7OQBGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHwYQCAAADQ7B3i4z3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQBBIQAKCAAKAIJCABQQAAAAAAAAAA== > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-fluoro-indol-1-yl]acetic acid > 2-[5-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-7-fluoro-1-indolyl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-fluoroindol-1-yl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-fluoroindol-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-fluoranyl-indol-1-yl]ethanoic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-fluoro-indol-1-yl]acetic acid > InChI=1S/C30H30Cl2FN3O5S/c1-40-23-14-20(32)24(41-2)13-19(23)27-25(9-8-16-6-4-3-5-7-16)42-30(34-27)35-29(39)22-11-17-10-18(31)12-21(33)28(17)36(22)15-26(37)38/h10-14,16H,3-9,15H2,1-2H3,(H,37,38)(H,34,35,39) > FYGGTVJAHJMXGR-UHFFFAOYSA-N > 8.6 > 633.1267258 > C30H30Cl2FN3O5S > 634.5 > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)F)Cl)CCC5CCCCC5)OC)Cl > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)F)Cl)CCC5CCCCC5)OC)Cl > 131 > 633.1267258 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 8 10 23 8 12 27 8 12 29 8 21 22 8 24 25 8 24 26 8 25 33 8 26 32 8 27 31 8 29 30 8 29 36 8 3 21 8 3 23 8 30 31 8 30 37 8 32 35 8 33 35 8 36 38 8 37 39 8 38 39 8 $$$$