9852832 -OEChem-05052407152D 89 92 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 6.1648 2.5356 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 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 5.4307 12.1530 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 8.0288 11.6530 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 3.1350 2.9016 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 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 2.2690 2.4016 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 4.3919 1.6463 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 11.1307 2.0042 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 7.1627 12.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 11.6530 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 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 10.1524 0.9809 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 7.5612 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 12.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 11.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 11.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 11.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 11.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 11.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 3 43 1 0 0 0 0 4 29 2 0 0 0 0 5 33 1 0 0 0 0 5 44 1 0 0 0 0 6 42 1 0 0 0 0 6 82 1 0 0 0 0 7 42 2 0 0 0 0 8 46 1 0 0 0 0 8 89 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 23 1 0 0 0 0 10 29 1 0 0 0 0 10 62 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 35 1 0 0 0 0 12 45 1 0 0 0 0 12 87 1 0 0 0 0 12 88 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 34 2 0 0 0 0 26 33 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 30 31 1 0 0 0 0 30 36 2 0 0 0 0 31 64 1 0 0 0 0 32 38 1 0 0 0 0 32 40 1 0 0 0 0 33 39 2 0 0 0 0 34 39 1 0 0 0 0 34 67 1 0 0 0 0 35 42 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 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 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 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 46 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END > 9852832 > 1 > 935 > 9 > 4 > 11 > AAADcfB/uABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7h3iYz3/PMFgisAyXyfACC+KlnL3kB2LW+b9iOdvPlv7uUMShu0RPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-aminoethanol;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-aminoethanol;2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid > 2-aminoethanol;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-aminoethanol;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-azanylethanol;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-aminoethanol;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > InChI=1S/C32H36ClN3O5S.C2H7NO/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;3-1-2-4/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39);4H,1-3H2 > COILIDFWUDVRLY-UHFFFAOYSA-N > 670.2591840 > C34H43ClN4O6S > 671.2 > 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)N > 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)N > 177 > 670.2591840 > 0 > 46 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 27 8 11 28 8 2 21 8 2 23 8 21 22 8 24 25 8 24 26 8 25 34 8 26 33 8 27 31 8 28 30 8 28 32 8 30 31 8 30 36 8 32 38 8 33 39 8 34 39 8 36 37 8 37 38 8 9 22 8 9 23 8 $$$$