22612540 -OEChem-05052404582D 62 65 0 0 0 0 0 0 0999 V2000 13.4028 -1.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 2.0768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -2.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -2.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -1.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 0.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 0.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 2.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -2.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -2.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7164 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -1.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 -1.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -2.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 -1.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 2.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 1.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 3.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 3.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 1.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 -2.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -2.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -2.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -2.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -2.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3330 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 2.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0998 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 55 1 0 0 0 0 5 25 2 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 32 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 10 24 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 37 1 0 0 0 0 16 25 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 53 1 0 0 0 0 30 33 2 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > 22612540 > 1 > 793 > 7 > 1 > 8 > AAADceB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/AAAHgYACAAADA7F3iaz3/MMFgisAyXyfACC+KlnL3gB2DW+b9iOZvPlv7uUMShuxxPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > InChI=1S/C26H26ClN3O5S/c1-6-29(26-28-19(13-36-26)17-10-22(35-5)18(27)11-21(17)34-4)25(33)20-9-16-8-14(2)7-15(3)24(16)30(20)12-23(31)32/h7-11,13H,6,12H2,1-5H3,(H,31,32) > LHSBGPKQYFHDPY-UHFFFAOYSA-N > 5.7 > 527.1281698 > C26H26ClN3O5S > 528.0 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C)C > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C)C > 122 > 527.1281698 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 8 10 27 8 11 12 8 11 14 8 12 15 8 12 17 8 13 15 8 14 19 8 17 18 8 18 19 8 2 24 8 2 29 8 27 29 8 28 30 8 28 31 8 30 33 8 31 32 8 32 34 8 33 34 8 8 11 8 8 13 8 $$$$