70161420 -OEChem-05042418312D 81 85 0 1 0 0 0 0 0999 V2000 11.9398 7.7254 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 4.0653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 3.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 0.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 0.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 4.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 8.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 3.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 4.8743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 5.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 12.5027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3726 13.5027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2392 13.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4216 12.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4216 13.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8338 13.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 5.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 2.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 5.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 5.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 4.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 5.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4262 5.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 6.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 7.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 7.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 4.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 9.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 11.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 14.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 12.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 13.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 11.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 11.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 14.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 14.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 13.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 12.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 1.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 2.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 5.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 6.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 5.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 2.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 1.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 4.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 6.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 5.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 6.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 7.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 6.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2053 4.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8418 7.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 5.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 3.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 3.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6965 4.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2861 8.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4233 9.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 9.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 32 1 0 0 0 0 2 35 1 0 0 0 0 3 26 2 0 0 0 0 4 31 1 0 0 0 0 4 72 1 0 0 0 0 5 31 2 0 0 0 0 6 37 1 0 0 0 0 6 42 1 0 0 0 0 7 39 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 9 26 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 32 2 0 0 0 0 10 34 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 44 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 45 1 0 0 0 0 13 46 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 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 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 21 2 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 31 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 29 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 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 33 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 40 2 0 0 0 0 38 39 1 0 0 0 0 38 74 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 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 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 70161420 > 1 > 881 > 7 > 1 > 8 > AAADcfB/OABEAAAAAAAAAAAAGAAAAeLEAAAwYMAAAAAAAFgB/AAAHgYACAAADQ7F3iaz3/MMFgisAyXyfACC+KlnL3gB2DW+b9iOZvPlv7uUMShuxxPY6Sf4yfCejQADAQAKCAAaAAYCABQQAAAAAAAAAA== > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-3,5,7-trimethyl-indol-1-yl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-3,5,7-trimethyl-1-indolyl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-3,5,7-trimethylindol-1-yl]acetic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-3,5,7-trimethylindol-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]-3,5,7-trimethyl-indol-1-yl]ethanoic acid > bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-3,5,7-trimethyl-indol-1-yl]acetic acid > InChI=1S/C27H28ClN3O5S.C6H10/c1-7-30(27-29-20(13-37-27)18-10-22(36-6)19(28)11-21(18)35-5)26(34)25-16(4)17-9-14(2)8-15(3)24(17)31(25)12-23(32)33;1-2-5-4-6(5)3-1/h8-11,13H,7,12H2,1-6H3,(H,32,33);5-6H,1-4H2 > BTRUYKSIRSRMDX-UHFFFAOYSA-N > 623.2220702 > C33H38ClN3O5S > 624.2 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=C(C4=CC(=CC(=C4N3CC(=O)O)C)C)C.C1CC2CC2C1 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=C(C4=CC(=CC(=C4N3CC(=O)O)C)C)C.C1CC2CC2C1 > 122 > 623.2220702 > 0 > 43 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 32 8 10 34 8 11 14 3 12 15 3 17 18 8 17 21 8 18 20 8 18 22 8 19 20 8 2 32 8 2 35 8 21 25 8 22 24 8 24 25 8 34 35 8 36 37 8 36 38 8 37 40 8 38 39 8 39 41 8 40 41 8 8 17 8 8 19 8 $$$$