9895474 -OEChem-05221322192D 75 79 0 0 0 0 0 0 0999 V2000 3.2320 2.7244 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 2.8435 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 11.9938 -0.3211 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 11.5757 3.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 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 1.6631 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 11.5757 -3.6722 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 13.4028 -2.8588 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 11.8893 0.6734 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 6.1279 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 7.1279 0.8584 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 11.6803 2.6625 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 5.8550 2.6137 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 3.7320 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.2557 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 2.8660 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9074 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.2448 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 10.9797 -3.5013 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 13.0398 -1.8403 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 11.9388 -4.6907 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 13.9988 -3.0296 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 13.4483 -4.4549 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 10.2753 -1.9190 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 11.5717 -1.2663 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 7.3179 -0.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 2.3269 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 6.3429 2.2311 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 13.2647 1.0090 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 1.6900 0.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6552 -1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4738 -0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 -0.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7492 3.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8863 4.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0203 4.7464 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 36 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 24 1 0 0 0 0 4 41 1 0 0 0 0 5 28 2 0 0 0 0 6 31 1 0 0 0 0 6 42 1 0 0 0 0 7 39 1 0 0 0 0 7 75 1 0 0 0 0 8 39 2 0 0 0 0 9 21 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 28 1 0 0 0 0 10 58 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 32 2 0 0 0 0 25 31 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 2 0 0 0 0 27 35 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 60 1 0 0 0 0 31 36 2 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 33 39 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 35 38 2 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 M END > 9895474 > 1 > 929 > 7 > 2 > 10 > AAADcfB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7vUMShuwRPY6af4yfCeDQADIQAKCBAaAAZCABQQIAAAAAAAAA== > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetic acid > 2-[7-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5-methyl-1-indolyl]acetic acid > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylindol-1-yl]acetic acid > 2-[7-chloranyl-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]ethanoic acid > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetic acid > InChI=1S/C31H33Cl2N3O5S/c1-17-11-19-13-23(36(16-27(37)38)29(19)22(33)12-17)30(39)35-31-34-28(20-14-25(41-3)21(32)15-24(20)40-2)26(42-31)10-9-18-7-5-4-6-8-18/h11-15,18H,4-10,16H2,1-3H3,(H,37,38)(H,34,35,39) > ZGZDMSJKGUFBMR-UHFFFAOYSA-N > 8.8 > 629.151798 > C31H33Cl2N3O5S > 630.58182 > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)Cl > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)Cl > 131 > 629.151798 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 11 26 8 11 27 8 20 21 8 23 24 8 23 25 8 24 32 8 25 31 8 26 30 8 27 29 8 27 35 8 29 30 8 29 34 8 3 20 8 3 22 8 31 36 8 32 36 8 34 37 8 35 38 8 37 38 8 9 21 8 9 22 8 $$$$