53340536 -OEChem-05012417232D 66 70 0 1 0 0 0 0 0999 V2000 7.7619 0.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.4074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.4074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 1.3664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7506 0.5617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.2734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2619 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -3.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -2.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0938 2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0938 3.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8258 2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 3.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8258 3.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 1.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 0.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 0.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 1.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -3.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -3.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 -2.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 -2.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8589 -2.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7058 -3.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 -2.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -0.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7501 1.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5568 3.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9598 4.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 3.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 2 0 0 0 0 3 21 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 11 6 1 6 0 0 0 6 21 1 0 0 0 0 6 55 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 56 1 0 0 0 0 8 23 1 0 0 0 0 8 27 1 0 0 0 0 8 58 1 0 0 0 0 9 23 2 0 0 0 0 9 28 1 0 0 0 0 10 11 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 12 1 0 0 0 0 11 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 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 23 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 34 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 32 36 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 53340536 > 1 > 836 > 4 > 3 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB/gAAHgAQAAAADijBnwQz0PfJkACoAydydACCgC2nEqAJmaG4dNiIaPLAnbGUIQholgLIyacYiYCfAAAAAAACACAAAAAAAAQAQAAAAAAAAA== > N-[(1S)-1-[4-(1H-benzimidazole-2-carbonyl)piperazine-1-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-[1H-benzimidazol-2-yl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide > N-[(2S)-1-[4-(1H-benzimidazol-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide > N-[(1S)-1-[4-(1H-benzimidazole-2-carbonyl)piperazine-1-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide > InChI=1S/C27H30N6O3/c1-27(2,3)22(31-24(34)21-16-17-8-4-5-9-18(17)28-21)25(35)32-12-14-33(15-13-32)26(36)23-29-19-10-6-7-11-20(19)30-23/h4-11,16,22,28H,12-15H2,1-3H3,(H,29,30)(H,31,34)/t22-/m1/s1 > GCEYHHVCEYGIDJ-JOCHJYFZSA-N > 3.8 > 486.23793884 > C27H30N6O3 > 486.6 > CC(C)(C)C(C(=O)N1CCN(CC1)C(=O)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=CC=CC=C5N4 > CC(C)(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=CC=CC=C5N4 > 114 > 486.23793884 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 22 24 8 24 26 8 25 26 8 25 29 8 26 30 8 27 28 8 27 31 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 34 8 35 36 8 11 6 6 7 22 8 7 25 8 8 23 8 8 27 8 9 23 8 9 28 8 $$$$