46902913 -OEChem-06191308542D 86 89 0 0 0 0 0 0 0999 V2000 6.5991 6.1200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 5.1200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 5.1200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.6536 4.6475 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.2928 3.2801 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.2862 5.0082 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2593 8.4933 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6253 9.8593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6253 8.1273 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8574 8.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9913 10.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0193 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9254 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0193 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9254 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7895 4.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1253 8.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9913 9.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0122 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0122 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 0.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 1.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4611 2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 9.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 52 1 0 0 0 0 5 52 1 0 0 0 0 6 52 1 0 0 0 0 7 53 1 0 0 0 0 8 53 1 0 0 0 0 9 53 1 0 0 0 0 10 34 2 0 0 0 0 11 44 2 0 0 0 0 12 45 2 0 0 0 0 13 54 1 0 0 0 0 13 86 1 0 0 0 0 14 54 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 25 1 0 0 0 0 17 32 1 0 0 0 0 17 34 1 0 0 0 0 17 73 1 0 0 0 0 18 37 1 0 0 0 0 18 45 1 0 0 0 0 18 77 1 0 0 0 0 19 41 1 0 0 0 0 19 47 1 0 0 0 0 19 78 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 27 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 31 2 0 0 0 0 29 70 1 0 0 0 0 30 32 2 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 38 42 2 0 0 0 0 38 75 1 0 0 0 0 39 42 1 0 0 0 0 39 50 1 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 40 49 1 0 0 0 0 41 46 1 0 0 0 0 42 76 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 47 2 0 0 0 0 46 48 2 0 0 0 0 46 79 1 0 0 0 0 47 80 1 0 0 0 0 48 51 1 0 0 0 0 48 52 1 0 0 0 0 49 51 2 0 0 0 0 49 81 1 0 0 0 0 50 82 1 0 0 0 0 50 83 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 53 54 1 0 0 0 0 M END > 46902913 > 1 > 1250 > 17 > 4 > 7 > AAADcfB/ucAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHwAQCAAADAzBmBQyyIPAAgCIAqXWWACCAAAlAgAIiIEIZMgIYDrIlZGUIYhglADIycccicCeyAAAQAASAACQAACAACQAAAAAAAAAAA== > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide;2,2,2-trifluoroacetic acid > N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide;2,2,2-trifluoroacetic acid > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide;2,2,2-trifluoroacetic acid > N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid > N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxamide;2,2,2-trifluoroacetic acid > InChI=1S/C33H31F6N5O3.C2HF3O2/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;3-2(4,5)1(6)7/h4-9,14-17H,3,10-13,18H2,1-2H3,(H,40,45)(H,41,46)(H,42,47);(H,6,7) > NFXPDGXKVDFZQF-UHFFFAOYSA-N > 773.225973 > C35H32F9N5O5 > 773.644709 > 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.C(=O)(C(F)(F)F)O > 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.C(=O)(C(F)(F)F)O > 131 > 773.225973 > 0 > 54 > 0 > 0 > 0 > 0 > 0 > 2 > 35 > 1 5 255 > 19 41 8 19 47 8 26 28 8 26 29 8 28 30 8 29 31 8 30 32 8 31 32 8 35 36 8 35 38 8 36 37 8 37 39 8 38 42 8 39 42 8 40 41 8 40 44 8 40 49 8 41 46 8 43 44 8 43 47 8 46 48 8 48 51 8 49 51 8 $$$$