46902919 -OEChem-05102422142D 88 91 0 0 0 0 0 0 0999 V2000 6.5991 17.9860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 16.9860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 16.9860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3976 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 12.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 15.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 6.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 15.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 15.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 15.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 15.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 15.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 16.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 12.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 12.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 11.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 7.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.4860 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 9.1972 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 8.3312 4.9860 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 7.4651 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 13.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 14.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 16.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 16.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 13.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 13.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 16.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 15.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 16.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 16.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 13.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 13.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 15.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 13.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 14.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 15.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 14.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 11.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 13.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 11.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 9.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 8.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 8.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 11.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 12.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 13.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 5.1760 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 8.3312 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 8.1666 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 53 1 0 0 0 0 5 53 1 0 0 0 0 6 53 1 0 0 0 0 7 32 2 0 0 0 0 8 37 1 0 0 0 0 8 45 1 0 0 0 0 9 39 2 0 0 0 0 10 54 1 0 0 0 0 10 88 1 0 0 0 0 11 54 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 73 1 0 0 0 0 15 36 1 0 0 0 0 15 39 1 0 0 0 0 15 77 1 0 0 0 0 16 44 1 0 0 0 0 16 46 2 0 0 0 0 17 52 3 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 70 1 0 0 0 0 28 31 2 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 74 1 0 0 0 0 35 37 2 0 0 0 0 35 75 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 40 42 1 0 0 0 0 40 44 2 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 46 1 0 0 0 0 42 78 1 0 0 0 0 43 47 2 0 0 0 0 43 48 1 0 0 0 0 44 79 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 46 83 1 0 0 0 0 47 49 1 0 0 0 0 47 84 1 0 0 0 0 48 50 2 0 0 0 0 48 85 1 0 0 0 0 49 51 2 0 0 0 0 49 86 1 0 0 0 0 50 51 1 0 0 0 0 50 87 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M END > 46902919 > 1 > 1170 > 15 > 3 > 9 > AAADcfB/ucAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAAB1AAAHwAQCAAADAzBmhY+zpPIFgC4BjX3XACiiCA1IiAI2CEubNgM5vrE9ZuUMahm1BnI6c++2dOOyAABQgAQAACQAAKEACAAAAAAAAAAAA== > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxy-phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-5-methoxyphenyl]-3-pyridinecarboxamide;2,2,2-trifluoroacetic acid > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxy-phenyl]pyridine-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid > 5-(4-cyanophenyl)-N-[3-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxy-phenyl]nicotinamide;2,2,2-trifluoroacetic acid > InChI=1S/C35H33F3N6O3.C2HF3O2/c1-3-43-10-12-44(13-11-43)22-25-8-9-29(18-32(25)35(36,37)38)41-33(45)26-15-30(17-31(16-26)47-2)42-34(46)28-14-27(20-40-21-28)24-6-4-23(19-39)5-7-24;3-2(4,5)1(6)7/h4-9,14-18,20-21H,3,10-13,22H2,1-2H3,(H,41,45)(H,42,46);(H,6,7) > JCKDFKQHXBPNAJ-UHFFFAOYSA-N > 756.24948718 > C37H34F6N6O5 > 756.7 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C4=CN=CC(=C4)C5=CC=C(C=C5)C#N)C(F)(F)F.C(=O)(C(F)(F)F)O > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)OC)NC(=O)C4=CN=CC(=C4)C5=CC=C(C=C5)C#N)C(F)(F)F.C(=O)(C(F)(F)F)O > 148 > 756.24948718 > 0 > 54 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 44 8 16 46 8 24 26 8 24 27 8 26 28 8 27 29 8 28 31 8 29 31 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 40 42 8 40 44 8 41 42 8 41 46 8 43 47 8 43 48 8 47 49 8 48 50 8 49 51 8 50 51 8 $$$$