9938915 -OEChem-05112421222D 72 76 0 0 0 0 0 0 0999 V2000 12.5368 3.2526 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -2.3306 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -0.4075 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 4.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5271 -3.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -3.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 1.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -3.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5187 -3.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 -2.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 -3.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -1.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 1.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 3.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 2.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 -3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0414 -0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7962 4.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 -1.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 -3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -3.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1738 -1.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 -1.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 -4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 -4.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1328 -2.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 -1.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 -4.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 -3.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 -2.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 -0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 -0.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4388 2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 0.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3987 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -2.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -2.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7892 -0.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6078 -0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 0.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0483 5.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2297 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 3.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 -4.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 35 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 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 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 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 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 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 64 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 M END > 9938915 > 1 > 898 > 7 > 2 > 10 > AAADceB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7vUMShuwRPY6af4yfCeBQABIQAKCBAKAAJCABQQIAAAAAAAAA== > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[7-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[7-chloranyl-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid > 2-[7-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > InChI=1S/C30H31Cl2N3O5S/c1-39-23-15-21(32)24(40-2)14-19(23)27-25(12-11-17-7-4-3-5-8-17)41-30(33-27)34-29(38)22-13-18-9-6-10-20(31)28(18)35(22)16-26(36)37/h6,9-10,13-15,17H,3-5,7-8,11-12,16H2,1-2H3,(H,36,37)(H,33,34,38) > CYTJILBIJYVNEO-UHFFFAOYSA-N > 8.5 > 615.1361477 > C30H31Cl2N3O5S > 616.6 > 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 > 615.1361477 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 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 $$$$