9808719 -OEChem-04252412562D 75 79 0 0 0 0 0 0 0999 V2000 13.4028 -2.5886 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.0716 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -0.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -4.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -2.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.5464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 3.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 4.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -3.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -1.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 3.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 2.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 3.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 2.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 3.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 5.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 4.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 4.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 0.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 0.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -3.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -3.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -0.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -4.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 26 2 0 0 0 0 5 30 1 0 0 0 0 5 41 1 0 0 0 0 6 38 1 0 0 0 0 6 75 1 0 0 0 0 7 38 2 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 57 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 10 32 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 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 31 2 0 0 0 0 24 30 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 27 28 2 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 59 1 0 0 0 0 30 35 2 0 0 0 0 31 35 1 0 0 0 0 31 62 1 0 0 0 0 32 38 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 36 2 0 0 0 0 33 63 1 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 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 M END > 9808719 > 1 > 894 > 7 > 2 > 10 > AAADcfB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5-methyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylindol-1-yl]acetic acid > 2-[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-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetic acid > InChI=1S/C31H34ClN3O5S/c1-18-9-11-23-20(13-18)14-24(35(23)17-28(36)37)30(38)34-31-33-29(21-15-26(40-3)22(32)16-25(21)39-2)27(41-31)12-10-19-7-5-4-6-8-19/h9,11,13-16,19H,4-8,10,12,17H2,1-3H3,(H,36,37)(H,33,34,38) > ITSFURYNWBMEFN-UHFFFAOYSA-N > 8.2 > 595.1907701 > C31H34ClN3O5S > 596.1 > CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > 131 > 595.1907701 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 8 10 27 8 19 20 8 2 19 8 2 21 8 22 23 8 22 24 8 23 31 8 24 30 8 25 29 8 27 28 8 27 34 8 28 29 8 28 33 8 30 35 8 31 35 8 33 36 8 34 37 8 36 37 8 8 20 8 8 21 8 $$$$