16746145 -OEChem-04232415112D 78 82 0 0 0 0 0 0 0999 V2000 17.6525 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.2865 3.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.2865 1.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0275 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 1.3399 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -0.3882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6525 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9205 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6525 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9205 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9205 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6525 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9205 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2631 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8646 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7084 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3099 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8646 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2631 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3099 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7084 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3971 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9986 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1759 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5745 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3425 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1895 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9625 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6515 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1273 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7972 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3023 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4554 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6823 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 47 1 0 0 0 0 5 47 1 0 0 0 0 6 47 1 0 0 0 0 7 29 2 0 0 0 0 8 39 2 0 0 0 0 9 41 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 66 1 0 0 0 0 13 31 1 0 0 0 0 13 41 1 0 0 0 0 13 70 1 0 0 0 0 14 36 1 0 0 0 0 14 42 1 0 0 0 0 14 72 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 22 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 63 1 0 0 0 0 25 27 2 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 34 2 0 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 33 39 1 0 0 0 0 33 44 1 0 0 0 0 34 38 1 0 0 0 0 34 46 1 0 0 0 0 35 38 2 0 0 0 0 35 68 1 0 0 0 0 36 40 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37 42 2 0 0 0 0 38 69 1 0 0 0 0 40 43 2 0 0 0 0 40 71 1 0 0 0 0 42 73 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 44 45 2 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 M END > 16746145 > 1 > 1170 > 12 > 3 > 7 > AAADceB/scAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHwAQAAAADAzBmBQywIPAAACIAqVWUACCAAAlAgAIiIEIZMgIYDrIlZGUIYhglADIycccicCeyAAAQAASAACQAACAACQAAAAAAAAAAA== > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxamide > InChI=1S/C33H31F6N5O3/c1-3-43-10-12-44(13-11-43)18-21-6-8-23(16-26(21)33(37,38)39)41-30(46)20-5-4-19(2)27(14-20)42-31(47)25-17-40-28-15-22(32(34,35)36)7-9-24(28)29(25)45/h4-9,14-17H,3,10-13,18H2,1-2H3,(H,40,45)(H,41,46)(H,42,47) > WYUZMROWCYDDMT-UHFFFAOYSA-N > 5.6 > 659.23310884 > C33H31F6N5O3 > 659.6 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CNC5=C(C4=O)C=CC(=C5)C(F)(F)F)C(F)(F)F > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CNC5=C(C4=O)C=CC(=C5)C(F)(F)F)C(F)(F)F > 93.8 > 659.23310884 > 0 > 47 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 36 8 14 42 8 21 23 8 21 24 8 23 25 8 24 26 8 25 27 8 26 27 8 30 32 8 30 35 8 31 32 8 31 34 8 33 36 8 33 39 8 33 44 8 34 38 8 35 38 8 36 40 8 37 39 8 37 42 8 40 43 8 43 45 8 44 45 8 $$$$