24792060 -OEChem-04252412592D 79 84 0 1 0 0 0 0 0999 V2000 12.3923 0.3147 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5794 -3.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 -0.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 1.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 -1.4901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2258 -2.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9701 -3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1763 -2.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2473 -2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5202 -0.6853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1922 -2.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6424 -3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5453 -3.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7959 -2.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0889 -1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8019 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4740 0.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6856 0.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 0.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 -1.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1402 -0.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -1.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 5 25 2 0 0 0 0 6 40 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 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 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 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 15 17 1 0 0 0 0 15 27 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 25 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 73 1 0 0 0 0 36 38 2 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 37 75 1 0 0 0 0 38 39 1 0 0 0 0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 M END > 24792060 > 1 > 1100 > 7 > 0 > 6 > AAADcfB7uABAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgBQAAAHgQAQAAADSzB2AQywYMAAAKIAqVSUHDCABAlAgAIiBkIZMgIYDLAlZGUIQhghgDIyYcciYCeCAQAgAACAAAQCAEAAAQAAAAAAAAAAA== > 1-[4-[4-[1-[1-(cyclopropanecarbonyl)-2-methyl-indolin-5-yl]sulfonylpiperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone > 1-[4-[4-[[1-[[1-[cyclopropyl(oxo)methyl]-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-4-piperidinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone > 1-[4-[4-[1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone > 1-[4-[4-[1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone > 1-[4-[4-[1-[(1-cyclopropylcarbonyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone > 1-[4-[4-[1-[1-(cyclopropanecarbonyl)-2-methyl-indolin-5-yl]sulfonylisonipecotoyl]piperazino]phenyl]ethanone > InChI=1S/C31H38N4O5S/c1-21-19-26-20-28(9-10-29(26)35(21)31(38)24-3-4-24)41(39,40)34-13-11-25(12-14-34)30(37)33-17-15-32(16-18-33)27-7-5-23(6-8-27)22(2)36/h5-10,20-21,24-25H,3-4,11-19H2,1-2H3 > NJCPXRBJOBQJGQ-UHFFFAOYSA-N > 2.6 > 578.25629150 > C31H38N4O5S > 578.7 > CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)C(=O)C > CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)C(=O)C > 107 > 578.25629150 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 27 3 18 19 8 18 28 8 19 26 8 24 26 8 24 29 8 28 29 8 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$