9916633 -OEChem-05211315212D 75 79 0 0 0 0 0 0 0999 V2000 12.5368 -3.5465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 0.1136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -3.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 3.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.5044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 1.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 2.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5187 3.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -3.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -2.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 -2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 1.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1738 1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 3.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1137 2.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 1.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1328 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 4.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 3.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 3.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 1.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 1.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 -0.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 0.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -0.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 1.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -3.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 2.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -4.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -4.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -2.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -2.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9193 -1.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 4.1789 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 28 2 0 0 0 0 5 32 1 0 0 0 0 5 41 1 0 0 0 0 6 39 1 0 0 0 0 6 75 1 0 0 0 0 7 39 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 28 1 0 0 0 0 9 57 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 31 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 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 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 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 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 26 2 0 0 0 0 23 33 2 0 0 0 0 24 28 1 0 0 0 0 24 29 2 0 0 0 0 25 27 1 0 0 0 0 25 30 2 0 0 0 0 26 32 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 34 2 0 0 0 0 29 59 1 0 0 0 0 30 36 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 36 37 2 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 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 > 9916633 > 1 > 894 > 7 > 2 > 10 > AAADcfB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQADAQAKCAAKAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-7-methyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methyl-indol-1-yl]acetic acid > InChI=1S/C31H34ClN3O5S/c1-18-8-7-11-20-14-23(35(29(18)20)17-27(36)37)30(38)34-31-33-28(21-15-25(40-3)22(32)16-24(21)39-2)26(41-31)13-12-19-9-5-4-6-10-19/h7-8,11,14-16,19H,4-6,9-10,12-13,17H2,1-3H3,(H,36,37)(H,33,34,38) > MFWRPGPURWSDCK-UHFFFAOYSA-N > 8.2 > 595.19077 > C31H34ClN3O5S > 596.13676 > CC1=CC=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > CC1=CC=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > 131 > 595.19077 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 10 24 8 10 25 8 19 20 8 2 19 8 2 21 8 22 23 8 22 26 8 23 33 8 24 29 8 25 27 8 25 30 8 26 32 8 27 29 8 27 34 8 30 36 8 32 35 8 33 35 8 34 37 8 36 37 8 8 20 8 8 21 8 $$$$