10233878 -OEChem-03282418002D 96 99 0 0 0 0 0 0 0999 V2000 11.9398 1.4165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 5.0766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 1.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 3.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 2.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3278 12.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 12.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 4.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 2.5968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 11.6531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 6.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 6.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 7.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 7.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 8.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 8.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 6.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 5.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 4.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 3.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4262 3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9578 2.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5957 12.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 12.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6508 7.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 6.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 6.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8409 8.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 7.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 6.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 7.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2684 9.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 8.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 8.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 6.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 6.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 4.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1087 5.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 4.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4911 4.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 4.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1524 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 1.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 0.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 0.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5934 2.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 2.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3223 3.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9943 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2622 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4652 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 11.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0632 11.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8603 11.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 11.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 11.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8647 11.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 11.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 26 1 0 0 0 0 3 44 1 0 0 0 0 4 33 1 0 0 0 0 4 45 1 0 0 0 0 5 29 2 0 0 0 0 6 43 1 0 0 0 0 6 85 1 0 0 0 0 7 43 2 0 0 0 0 8 48 1 0 0 0 0 8 95 1 0 0 0 0 9 49 1 0 0 0 0 9 96 1 0 0 0 0 10 23 1 0 0 0 0 10 24 2 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 65 1 0 0 0 0 12 28 1 0 0 0 0 12 30 1 0 0 0 0 12 36 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 90 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 34 2 0 0 0 0 27 33 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 1 0 0 0 0 31 38 2 0 0 0 0 32 67 1 0 0 0 0 33 37 2 0 0 0 0 34 37 1 0 0 0 0 34 68 1 0 0 0 0 35 40 1 0 0 0 0 35 41 1 0 0 0 0 36 43 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 48 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 49 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 M END > 10233878 > 1 > 954 > 10 > 5 > 14 > AAADcfB/uABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7h3iYz3/PMFgisAyXyfACC+KlnL3kB2LW+b9iOdvPlv7uUMShu0RPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid;2-(2-hydroxyethylamino)ethanol > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid;2-(2-hydroxyethylamino)ethanol > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid;2-(2-hydroxyethylamino)ethanol > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid;2-(2-hydroxyethylamino)ethanol > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid;2-(2-hydroxyethylamino)ethanol > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid;2-(2-hydroxyethylamino)ethanol > InChI=1S/C32H36ClN3O5S.C4H11NO2/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20;6-3-1-5-2-4-7/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39);5-7H,1-4H2 > YJKHKHDMOPQPHB-UHFFFAOYSA-N > 714.2853987 > C36H47ClN4O7S > 715.3 > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(CO)NCCO > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(CO)NCCO > 183 > 714.2853987 > 0 > 49 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 23 8 10 24 8 12 28 8 12 30 8 2 22 8 2 24 8 22 23 8 25 26 8 25 27 8 26 34 8 27 33 8 28 32 8 30 31 8 30 35 8 31 32 8 31 38 8 33 37 8 34 37 8 35 40 8 38 39 8 39 40 8 $$$$