9830340 -OEChem-05142403542D 78 82 0 0 0 0 0 0 0999 V2000 12.5368 -2.8435 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 0.8166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -2.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5271 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -3.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -0.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.0076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 2.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5187 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 -3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1738 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1328 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 4.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 4.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 4.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 0.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -3.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -3.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -4.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9193 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 26 1 0 0 0 0 3 41 1 0 0 0 0 4 28 2 0 0 0 0 5 35 1 0 0 0 0 5 42 1 0 0 0 0 6 40 1 0 0 0 0 6 75 1 0 0 0 0 7 40 2 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 32 1 0 0 0 0 10 21 1 0 0 0 0 10 28 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 26 1 0 0 0 0 22 29 2 0 0 0 0 23 25 1 0 0 0 0 23 30 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 31 2 0 0 0 0 26 36 2 0 0 0 0 27 59 1 0 0 0 0 29 35 1 0 0 0 0 29 60 1 0 0 0 0 30 33 1 0 0 0 0 30 37 1 0 0 0 0 31 34 1 0 0 0 0 31 38 1 0 0 0 0 32 40 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 39 2 0 0 0 0 36 39 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > 9830340 > 1 > 925 > 7 > 2 > 10 > AAADcfB/OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCexQADQQAaCACKAAaCADQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,7-dimethyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-4,7-dimethyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,7-dimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,7-dimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,7-dimethyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,7-dimethyl-indol-1-yl]acetic acid > InChI=1S/C32H36ClN3O5S/c1-18-10-11-19(2)30-21(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)13-12-20-8-6-5-7-9-20/h10-11,14-16,20H,5-9,12-13,17H2,1-4H3,(H,37,38)(H,34,35,39) > PQAPEXJKQQHFKZ-UHFFFAOYSA-N > 8.6 > 609.2064201 > C32H36ClN3O5S > 610.2 > CC1=C2C=C(N(C2=C(C=C1)C)CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > CC1=C2C=C(N(C2=C(C=C1)C)CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC > 131 > 609.2064201 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 20 8 2 19 8 2 21 8 22 26 8 22 29 8 23 25 8 23 30 8 24 27 8 25 27 8 25 31 8 26 36 8 29 35 8 30 33 8 31 34 8 33 34 8 35 39 8 36 39 8 8 20 8 8 21 8 9 23 8 9 24 8 $$$$