22612551 -OEChem-05251314292D 72 76 0 0 0 0 0 0 0999 V2000 13.4028 -3.4981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7810 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 0.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -3.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 3.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 2.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -1.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 2.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 2.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 3.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 4.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 3.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 1.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 -0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -1.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -0.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -4.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -4.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -4.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -2.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -1.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 4.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 38 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 40 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 6 27 2 0 0 0 0 7 39 1 0 0 0 0 7 72 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 27 1 0 0 0 0 10 57 1 0 0 0 0 11 26 1 0 0 0 0 11 28 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 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 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 58 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 28 29 2 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 32 34 1 0 0 0 0 32 60 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 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 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 M END > 22612551 > 1 > 898 > 7 > 2 > 10 > AAADceB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQBBIQAKCAAKAIJCABQQAAAAAAAAAA== > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[5-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]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]indol-1-yl]ethanoic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > InChI=1S/C30H31Cl2N3O5S/c1-39-24-15-21(32)25(40-2)14-20(24)28-26(11-8-17-6-4-3-5-7-17)41-30(33-28)34-29(38)23-13-18-12-19(31)9-10-22(18)35(23)16-27(36)37/h9-10,12-15,17H,3-8,11,16H2,1-2H3,(H,36,37)(H,33,34,38) > VBRYWAAVGGWBTI-UHFFFAOYSA-N > 8.5 > 615.136147 > C30H31Cl2N3O5S > 616.55524 > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4)Cl)CCC5CCCCC5)OC)Cl > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4)Cl)CCC5CCCCC5)OC)Cl > 131 > 615.136147 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 11 26 8 11 28 8 20 21 8 23 24 8 23 25 8 24 32 8 25 31 8 26 30 8 28 29 8 28 35 8 29 30 8 29 36 8 3 20 8 3 22 8 31 34 8 32 34 8 35 37 8 36 38 8 37 38 8 9 21 8 9 22 8 $$$$