25218593 -OEChem-05072410202D 67 71 0 1 0 0 0 0 0999 V2000 7.1962 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9050 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 2.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 2.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 3 57 1 0 0 0 0 4 24 2 0 0 0 0 4 26 1 0 0 0 0 5 24 1 0 0 0 0 5 27 2 0 0 0 0 6 26 1 0 0 0 0 6 29 1 0 0 0 0 6 59 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 7 60 1 0 0 0 0 8 36 1 0 0 0 0 8 66 1 0 0 0 0 8 67 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 31 36 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 25218593 > 1 > 775 > 6 > 4 > 8 > AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFgB/AAAHgAQAAAADAjBmwQ/8N/JkACoAjd3dACCgCm1AqAJ2aE4ZNiIKPrA3dGEJYhokALIyecYiMCOCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > 2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > 2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > 2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > 2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > 2-[[2-[[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > 2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide > InChI=1S/C28H31N7O/c1-3-14-35-15-6-7-20(17-35)19-10-11-23(18(2)16-19)32-28-33-26-22(12-13-30-26)27(34-28)31-24-9-5-4-8-21(24)25(29)36/h4-5,7-13,16H,3,6,14-15,17H2,1-2H3,(H2,29,36)(H3,30,31,32,33,34) > MCHOTIIDAJHLED-UHFFFAOYSA-N > 5.3 > 481.25900864 > C28H31N7O > 481.6 > CCCN1CCC=C(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC=C5C(=O)N)C > CCCN1CCC=C(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC=C5C(=O)N)C > 112 > 481.25900864 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 17 8 15 18 8 17 20 8 18 22 8 20 21 8 21 22 8 25 26 8 25 27 8 25 28 8 28 29 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 4 24 8 4 26 8 5 24 8 5 27 8 6 26 8 6 29 8 $$$$