42628509 -OEChem-05062419132D 59 62 0 0 0 0 0 0 0999 V2000 3.7320 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 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 11 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 48 1 0 0 0 0 5 20 1 0 0 0 0 5 21 2 0 0 0 0 6 20 2 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 49 1 0 0 0 0 8 27 1 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 16 45 1 0 0 0 0 17 19 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 29 2 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > 42628509 > 1 > 593 > 7 > 3 > 7 > AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHgAQAAAACAjBkgQ/8JfIEACoADd3dACCgCkxAqAJ2CA4ZNiIaOLA2dGUJAholALIyKcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA== > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide > N-[4-[[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]phenyl]-2-propenamide > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide > N-[4-[[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide > N-[4-[[2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]phenyl]acrylamide > InChI=1S/C24H27N7O/c1-3-23(32)27-19-6-4-18(5-7-19)26-22-12-13-25-24(29-22)28-20-8-10-21(11-9-20)31-16-14-30(2)15-17-31/h3-13H,1,14-17H2,2H3,(H,27,32)(H2,25,26,28,29) > PQYHOLBZJPLDEA-UHFFFAOYSA-N > 3.7 > 429.22770851 > C24H27N7O > 429.5 > CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)NC(=O)C=C > CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)NC(=O)C=C > 85.4 > 429.22770851 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 13 16 8 15 17 8 16 18 8 17 19 8 18 19 8 21 23 8 22 25 8 22 26 8 23 24 8 25 28 8 26 29 8 27 28 8 27 29 8 5 20 8 5 21 8 6 20 8 6 24 8 $$$$