11409972 -OEChem-05082405462D 68 71 0 0 0 0 0 0 0999 V2000 9.0622 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -7.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -5.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 27 2 0 0 0 0 5 33 1 0 0 0 0 5 34 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 26 1 0 0 0 0 8 27 1 0 0 0 0 8 57 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 58 1 0 0 0 0 10 34 2 0 0 0 0 10 37 1 0 0 0 0 11 36 1 0 0 0 0 11 38 1 0 0 0 0 11 64 1 0 0 0 0 12 36 1 0 0 0 0 12 37 2 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 22 54 1 0 0 0 0 23 26 2 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 63 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 11409972 > 1 > 730 > 10 > 3 > 8 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHwAQAAAADAzBmhQ39pfIFACoAiZjdACCiCkxIqAJ2KA+bJiMbiLE+duePCju1BvI6CewwIAOiEAAQAAQAAAQgACAACAAAAAAAAAAAA== > 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea > 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea > 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea > 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea > 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea > 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea > InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) > ODPGGGTTYSGTGO-UHFFFAOYSA-N > 3.8 > 529.24130771 > C26H30F3N7O2 > 529.6 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)F > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)F > 94.6 > 529.24130771 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 8 10 37 8 12 36 8 12 37 8 19 21 8 19 22 8 21 23 8 22 24 8 23 26 8 24 26 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 34 35 8 35 36 8 $$$$