5311041 -OEChem-10121500242D 74 78 0 0 0 0 0 0 0999 V2000 9.3600 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 1.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8600 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8600 3.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 0.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 -1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 0.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 1.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 1.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4676 3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -2.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 1.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 4.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1700 1.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1700 4.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9800 2.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 38 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 5 55 1 0 0 0 0 6 22 1 0 0 0 0 6 26 2 0 0 0 0 7 23 1 0 0 0 0 7 29 1 0 0 0 0 7 58 1 0 0 0 0 8 23 2 0 0 0 0 8 26 1 0 0 0 0 9 32 1 0 0 0 0 9 38 1 0 0 0 0 9 68 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 44 1 0 0 0 0 12 47 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 25 28 2 0 0 0 0 25 57 1 0 0 0 0 26 31 1 0 0 0 0 27 30 2 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 37 2 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 M END > 5311041 > 1 > 777 > 6 > 3 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB/AAAHgAQAAAADAjBnwQzsN/JkACoAydydACCgCmnAqAJmaG4ZNiIaPLA3fGUJQholgLIyacYgYAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide > N-[2-[[6-[oxo-[4-(3-phenylpropyl)-1-piperazinyl]methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide > N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide > N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazin-1-yl]carbonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide > N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide > InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) > MIUCZFWBCFZKEU-UHFFFAOYSA-N > 3.9 > 525.285223 > C30H35N7O2 > 525.6446 > CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCN(CC3)CCCC4=CC=CC=C4)C5=CC=CC=C5 > CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCN(CC3)CCCC4=CC=CC=C4)C5=CC=CC=C5 > 106 > 525.285223 > 0 > 39 > 0 > 0 > 0 > 0 > 0 > 1 > 42 > 1 5 255 > 18 20 8 19 24 8 19 25 8 20 21 8 21 22 8 21 23 8 24 27 8 25 28 8 27 30 8 28 30 8 31 33 8 31 34 8 33 35 8 34 36 8 35 37 8 36 37 8 5 18 8 5 22 8 6 22 8 6 26 8 8 23 8 8 26 8 $$$$