46902913 -OEChem-03292410542D 86 89 0 0 0 0 0 0 0999 V2000 14.2865 12.2763 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 11.9103 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.2865 10.5442 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.8828 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3608 10.2502 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 8.5220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9301 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4564 9.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 12.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 12.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1621 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7865 8.4103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7865 6.4103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 11.4103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 10.9103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 9.4103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 7.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9205 7.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9205 6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7865 9.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7865 5.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9205 9.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 4.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9205 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0545 9.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0545 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1884 9.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1884 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7865 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4564 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 12.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 12.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 9.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 12.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 10.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 11.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 9.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 9.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 9.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 11.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 12.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 10.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 9.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2631 7.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8646 8.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7084 8.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3099 7.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8646 6.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2631 7.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3099 7.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7084 6.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3971 9.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9986 9.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1759 5.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5745 4.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3425 4.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1895 4.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9625 5.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0545 8.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0545 12.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6515 9.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 12.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 10.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1273 12.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 13.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 10.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 8.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 8.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 9.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 12.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3023 13.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 13.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 12.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 11.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 1.1760 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 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 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-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 > 773.22597260 > C35H32F9N5O5 > 773.6 > 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.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 > 773.22597260 > 0 > 54 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 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 $$$$