56588065
  -OEChem-04252422522D

 78 83  0     0  0  0  0  0  0999 V2000
   12.3892    7.2584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0232    5.8924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3892    5.5264    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6213    6.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7553    7.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913   10.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2007   10.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2620    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2620    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960   11.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8960   11.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960   12.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   12.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960   12.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8960   12.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    3.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892    6.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7553    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9329    8.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9194    8.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8726    8.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9194    7.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4741    6.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6080    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019   10.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0669    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760   12.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0160   12.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5860   13.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060   13.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    4.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    1.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6639    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1582    6.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56588065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
851

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sYAAAAAAAAAAAAAAAAAAAWAAAAA8eMGCAAAAAFix/gAAHwAQCAAADQjBnxQz2LfJkgCoAybybACCgC2hEqAJmSA4dJiIaOLAmZGUIAhokALIyCcQgMAOSAAAQAAAACCQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidyl]methyl]phenyl]-6-methyl-3-phenyl-quinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]methyl]phenyl]-6-methyl-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[[4-(1<I>H</I>-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methyl-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methyl-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methyl-3-phenyl-quinoxaline;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidino]methyl]phenyl]-6-methyl-3-phenyl-quinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C34H31N5.C2HF3O2/c1-23-11-16-30-31(21-23)36-32(25-7-3-2-4-8-25)33(35-30)26-14-12-24(13-15-26)22-39-19-17-27(18-20-39)34-37-28-9-5-6-10-29(28)38-34;3-2(4,5)1(6)7/h2-16,21,27H,17-20,22H2,1H3,(H,37,38);(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
YOQCKHAZPBVPHD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
623.25080977

> <PUBCHEM_MOLECULAR_FORMULA>
C36H32F3N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
623.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)CN5CCC(CC5)C6=NC7=CC=CC=C7N6.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)CN5CCC(CC5)C6=NC7=CC=CC=C7N6.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
95

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
623.25080977

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  31  8
10  34  8
18  21  8
18  22  8
19  20  8
19  23  8
20  24  8
21  25  8
22  26  8
23  28  8
24  29  8
25  27  8
26  27  8
28  29  8
30  31  8
32  34  8
32  35  8
33  38  8
33  39  8
34  36  8
35  40  8
36  37  8
37  40  8
38  41  8
39  42  8
41  44  8
42  44  8
7  16  8
7  19  8
8  16  8
8  20  8
9  30  8
9  32  8

$$$$