53340659 -OEChem-03282414152D 69 73 0 1 0 0 0 0 0999 V2000 7.7619 -0.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.8404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.5725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.8916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 4.2432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2506 -1.8607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.5725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2619 -0.0256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2619 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8568 -2.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -2.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 -3.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 -3.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 -4.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 -4.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -4.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -0.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 3.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 1.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 2.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 2.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7988 1.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5719 2.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7249 2.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -0.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 0.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 0.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 1.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3589 1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5858 0.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 3.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 3.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 3.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 -1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2501 -2.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0568 -4.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 -4.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -5.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 12 6 1 6 0 0 0 6 22 1 0 0 0 0 6 58 1 0 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 7 59 1 0 0 0 0 8 23 2 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 60 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 30 2 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 27 31 2 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 62 1 0 0 0 0 31 35 1 0 0 0 0 31 63 1 0 0 0 0 32 36 1 0 0 0 0 32 64 1 0 0 0 0 33 37 1 0 0 0 0 33 65 1 0 0 0 0 34 35 2 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > 53340659 > 1 > 875 > 4 > 3 > 5 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB/gAAHgAQAAAADijBnwQz0PfJkACoAydydACCgC2nEqAJmaG4dNiIaPLAnbGUIQholgLIyacYiYCfAAAAAAACACAAAAAAAAQAQAAAAAAAAA== > N-[(1S)-1-[4-(1H-benzimidazole-2-carbonyl)-3-methyl-piperazine-1-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-[1H-benzimidazol-2-yl(oxo)methyl]-3-methyl-1-piperazinyl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazole-2-carbonyl)-3-methylpiperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazole-2-carbonyl)-3-methylpiperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazol-2-ylcarbonyl)-3-methyl-piperazin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide > N-[(1S)-1-[4-(1H-benzimidazole-2-carbonyl)-3-methyl-piperazine-1-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide > InChI=1S/C28H32N6O3/c1-17-16-33(13-14-34(17)27(37)24-30-20-11-7-8-12-21(20)31-24)26(36)23(28(2,3)4)32-25(35)22-15-18-9-5-6-10-19(18)29-22/h5-12,15,17,23,29H,13-14,16H2,1-4H3,(H,30,31)(H,32,35)/t17?,23-/m1/s1 > FFZIMYFYQKIDCH-IRCUZVAFSA-N > 4.2 > 500.25358890 > C28H32N6O3 > 500.6 > CC1CN(CCN1C(=O)C2=NC3=CC=CC=C3N2)C(=O)C(C(C)(C)C)NC(=O)C4=CC5=CC=CC=C5N4 > CC1CN(CCN1C(=O)C2=NC3=CC=CC=C3N2)C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=CC=CC=C5N4 > 114 > 500.25358890 > 0 > 37 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 20 3 24 26 8 25 27 8 25 30 8 26 29 8 27 31 8 28 29 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 37 8 34 35 8 36 37 8 12 6 6 7 23 8 7 25 8 8 23 8 8 27 8 9 24 8 9 28 8 $$$$