57399558 -OEChem-05142408522D 59 62 0 1 0 0 0 0 0999 V2000 2.0000 5.8987 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 2.4995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7465 0.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 -5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 -4.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 -1.5887 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4016 0.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1561 3.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6713 -0.1799 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2948 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8938 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2948 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9182 -0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6957 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 -2.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6608 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4267 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6608 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 -4.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 2.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7317 2.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 -4.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 2.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 4.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4809 3.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 5.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 4.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7197 5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 5.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2329 -0.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4327 1.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7362 0.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 -1.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7558 -1.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8534 0.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1568 1.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 -0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3048 0.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8337 -1.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 -1.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 -0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 -0.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3918 -2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1977 -2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1977 -4.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 -5.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7223 2.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 2.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7409 3.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 -5.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 3.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0899 5.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 4.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 6.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 19 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 11 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 47 1 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 M END > 57399558 > 1 > 675 > 6 > 2 > 6 > AAADceB7MABEAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAAB0AAAHgYQCAAADQrB3iQyyZPIEgisAyXyXACC8KBlDzgImLU4btgIJrrh15GEcYhk1gHo2ce8yCCOBAAAQAAAAAAIAACAAAAAAAAAAAAAAA== > 3-[3-[[[2-(4-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]methyl]azepan-1-yl]benzoic acid > 3-[3-[[[[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]methyl]-1-azepanyl]benzoic acid > 3-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]azepan-1-yl]benzoic acid > 3-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]azepan-1-yl]benzoic acid > 3-[3-[[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]methyl]azepan-1-yl]benzoic acid > 3-[3-[[[2-(4-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]methyl]azepan-1-yl]benzoic acid > InChI=1S/C25H26ClN3O3S/c1-16-22(33-24(28-16)18-8-10-20(26)11-9-18)23(30)27-14-17-5-2-3-12-29(15-17)21-7-4-6-19(13-21)25(31)32/h4,6-11,13,17H,2-3,5,12,14-15H2,1H3,(H,27,30)(H,31,32) > PFSNFAACGIIXDJ-UHFFFAOYSA-N > 5.7 > 483.1383406 > C25H26ClN3O3S > 484.0 > CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NCC3CCCCN(C3)C4=CC=CC(=C4)C(=O)O > CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NCC3CCCCN(C3)C4=CC=CC(=C4)C(=O)O > 111 > 483.1383406 > 0 > 33 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 18 8 17 20 8 18 21 8 2 23 8 2 26 8 20 22 8 21 22 8 23 24 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 8 24 8 8 26 8 9 15 3 $$$$