56603512 -OEChem-04262418572D 67 69 0 0 0 0 0 0 0999 V2000 7.1297 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1297 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3617 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 6.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 7.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 7.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 8.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 8.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 6.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 6.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3153 8.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9167 7.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4714 6.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 7.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 8.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 8.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 7.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 8.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 9.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 5.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 7.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 6.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 6.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 7.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 6.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 35 2 0 0 0 0 5 39 1 0 0 0 0 5 67 1 0 0 0 0 6 39 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 55 1 0 0 0 0 10 25 1 0 0 0 0 10 26 2 0 0 0 0 11 25 2 0 0 0 0 11 29 1 0 0 0 0 12 26 1 0 0 0 0 12 28 1 0 0 0 0 12 56 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 63 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 17 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 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 23 2 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 M END > 56603512 > 1 > 677 > 12 > 4 > 7 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHwAQCAAACAjBkhQ/+JfIEgCoADf3fACCgCkxAqAJ2CA4ZNiIaOLA2dGUJAholALIyKcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA== > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]phenyl]-2-propenamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2,2,2-tris(fluoranyl)ethanoic acid > N-[4-[[2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]phenyl]acrylamide;2,2,2-trifluoroacetic acid > InChI=1S/C24H27N7O.C2HF3O2/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;3-2(4,5)1(6)7/h3-13H,1,14-17H2,2H3,(H,27,32)(H2,25,26,28,29);(H,6,7) > AFAHMILKNZWDEK-UHFFFAOYSA-N > 543.22057227 > C26H28F3N7O3 > 543.5 > CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)NC(=O)C=C.C(=O)(C(F)(F)F)O > CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)NC(=O)C=C.C(=O)(C(F)(F)F)O > 123 > 543.22057227 > 0 > 39 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 25 8 10 26 8 11 25 8 11 29 8 18 20 8 18 21 8 20 22 8 21 23 8 22 24 8 23 24 8 26 27 8 27 29 8 28 30 8 28 31 8 30 33 8 31 34 8 32 33 8 32 34 8 $$$$