22612545 -OEChem-05052400222D 78 82 0 1 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 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 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 4.0812 2.5968 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 7.7526 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 9.4110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8022 10.4110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6688 9.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 9.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 10.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 9.9110 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 4.6648 3.4016 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 4.0812 4.2063 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 5.6648 3.4016 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 5.6648 5.1336 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 7.1648 4.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 5.9996 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 8.7037 4.7676 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 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 11.1307 2.0042 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 12.2533 4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0544 8.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0544 10.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 9.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 10.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3143 8.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 8.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 11.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3143 11.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 10.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 9.4962 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 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 5.1899 5.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 4.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 5.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 6.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 6.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2053 5.1320 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 10.4911 4.2032 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 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 12.8699 4.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3181 5.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6367 4.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 31 1 0 0 0 0 2 34 1 0 0 0 0 3 26 2 0 0 0 0 4 30 1 0 0 0 0 4 70 1 0 0 0 0 5 30 2 0 0 0 0 6 36 1 0 0 0 0 6 41 1 0 0 0 0 7 38 1 0 0 0 0 7 42 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 26 1 0 0 0 0 9 29 1 0 0 0 0 9 31 1 0 0 0 0 10 31 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 44 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 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 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 20 2 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 20 27 1 0 0 0 0 21 53 1 0 0 0 0 22 30 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 32 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 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 M END > 22612545 > 1 > 851 > 7 > 1 > 8 > AAADcfB/OABEAAAAAAAAAAAAGAAAAeLEAAAwYMAAAAAAAFgB/AAAHgYACAAADQ7F3iaz3/MMFgisAyXyfACC+KlnL3gB2DW+b9iOZvPlv7uUMShuxxPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid > bicyclo[3.1.0]hexane;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.C6H10/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;1-2-5-4-6(5)3-1/h7-11,13H,6,12H2,1-5H3,(H,31,32);5-6H,1-4H2 > NXTQDNRUTPXDDX-UHFFFAOYSA-N > 609.2064201 > C32H36ClN3O5S > 610.2 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C)C.C1CC2CC2C1 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)O)C)C.C1CC2CC2C1 > 122 > 609.2064201 > 0 > 42 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 31 8 10 33 8 11 14 3 12 15 3 17 18 8 17 20 8 18 21 8 18 23 8 19 21 8 2 31 8 2 34 8 20 25 8 23 24 8 24 25 8 33 34 8 35 36 8 35 37 8 36 39 8 37 38 8 38 40 8 39 40 8 8 17 8 8 19 8 $$$$