123596 -OEChem-10101305022D 77 80 0 0 0 0 0 0 0999 V2000 12.3447 6.7055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 7.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 7.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8447 5.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 7.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 10.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 10.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 12.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 10.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 6.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7148 9.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0948 10.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 13.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1687 6.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 5.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7887 5.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 6.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 42 1 0 0 0 0 2 25 2 0 0 0 0 3 77 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 60 1 0 0 0 0 9 28 1 0 0 0 0 9 33 1 0 0 0 0 9 64 1 0 0 0 0 10 33 1 0 0 0 0 10 34 2 0 0 0 0 11 33 2 0 0 0 0 11 37 1 0 0 0 0 12 39 1 0 0 0 0 12 41 2 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 21 23 2 0 0 0 0 21 57 1 0 0 0 0 22 24 2 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 63 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 35 39 2 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 38 40 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 M END > 123596 > 1 > 799 > 10 > 3 > 7 > AAADcfB7uABAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAAB9AAAHgQQCAAADAjBngS/0JfIEIKoAzV3dHCCgCk1AqAJ2CE4ZNiIaPLA3dGUJQholALIyacYiACOSAAAAAQCAACQAAAACAQAAAAAAAAAAA== > methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide > methanesulfonic acid;4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide > methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide > methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide > mesylic acid;4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide > InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4) > YLMAHDNUQAMNNX-UHFFFAOYSA-N > 589.247124 > C30H35N7O4S > 589.7084 > CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O > CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O > 149 > 589.247124 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 2 > 6 > 1 5 255 > 10 33 8 10 34 8 11 33 8 11 37 8 12 39 8 12 41 8 19 20 8 19 21 8 20 22 8 21 23 8 22 24 8 23 24 8 26 27 8 26 29 8 27 28 8 28 30 8 29 31 8 30 31 8 34 36 8 35 38 8 35 39 8 36 37 8 38 40 8 40 41 8 $$$$