53300695 -OEChem-05072401412D 76 81 0 0 0 0 0 0 0999 V2000 0.0000 2.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2911 6.7929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 5.4269 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2911 5.0609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 9.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5232 5.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 7.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 6.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 11.1498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 10.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 10.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3543 11.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6435 9.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0222 11.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 10.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0007 11.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7911 5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 6.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9383 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9383 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0723 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 11.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8361 9.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8296 12.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 10.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4147 12.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 3.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0601 6.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 46 1 0 0 0 0 3 46 1 0 0 0 0 4 46 1 0 0 0 0 5 20 2 0 0 0 0 6 47 1 0 0 0 0 6 76 1 0 0 0 0 7 47 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 59 1 0 0 0 0 11 32 2 0 0 0 0 11 34 1 0 0 0 0 12 33 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 22 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 25 29 1 0 0 0 0 25 62 1 0 0 0 0 26 30 2 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 29 31 2 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 37 68 1 0 0 0 0 38 43 1 0 0 0 0 38 69 1 0 0 0 0 39 44 2 0 0 0 0 39 70 1 0 0 0 0 40 42 2 0 0 0 0 40 71 1 0 0 0 0 41 42 1 0 0 0 0 41 72 1 0 0 0 0 43 45 2 0 0 0 0 43 73 1 0 0 0 0 44 45 1 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 46 47 1 0 0 0 0 M END > 53300695 > 1 > 935 > 10 > 2 > 5 > AAADceB/scAAAAAAAAAAAAAAAAAAAWAAAAA8eMGCAAAAAFix9AAAHwAQCAAADCjBnhwxyLPIEgCoAyTyXACCgCQhEiAImCA4dJiIYOLA0ZGUIAholgLIyCcQgMAOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA== > 3-[1-[[4-(6-fluoro-3-phenyl-quinoxalin-2-yl)phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid > 3-[1-[[4-(6-fluoro-3-phenyl-2-quinoxalinyl)phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid > 3-[1-[[4-(6-fluoro-3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid > 3-[1-[[4-(6-fluoro-3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid > 3-[1-[[4-(6-fluoranyl-3-phenyl-quinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-tris(fluoranyl)ethanoic acid > 3-[1-[4-(6-fluoro-3-phenyl-quinoxalin-2-yl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid > InChI=1S/C33H28FN5O.C2HF3O2/c34-25-14-15-27-29(20-25)36-31(23-6-2-1-3-7-23)32(35-27)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-33(39)40;3-2(4,5)1(6)7/h1-15,20,26H,16-19,21H2,(H,37,40);(H,6,7) > SUSPPYAABYKUQZ-UHFFFAOYSA-N > 643.22065245 > C35H29F4N5O3 > 643.6 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)F)N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)F)N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O > 98.7 > 643.22065245 > 0 > 47 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 20 8 10 21 8 11 32 8 11 34 8 12 33 8 12 36 8 19 21 8 19 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 28 8 29 31 8 30 31 8 32 33 8 34 36 8 34 37 8 35 38 8 35 39 8 36 40 8 37 41 8 38 43 8 39 44 8 40 42 8 41 42 8 43 45 8 44 45 8 9 19 8 9 20 8 $$$$