24891788
  -OEChem-05102419222D

 77 79  0     0  0  0  0  0  0999 V2000
   12.7987    5.7331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3004    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    6.6664    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    4.9344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7987    7.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    7.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5258    9.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2689    7.9651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    6.6604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579    9.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1686   10.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8794    9.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5007   11.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2116   10.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5222   11.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7987    7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2689    6.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4028    8.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4028    6.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5368    6.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5368    7.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2987    6.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2987    8.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2987    6.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2987    8.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708    6.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7987    7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7987    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2987    3.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2987    4.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7987    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2987    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7987    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2987    8.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9999    8.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2736    3.6025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2736    4.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238    3.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238    2.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8238    1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24891788

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
626

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MYBAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHwQQCAAADCzF3xa/v5/MHgioAzb3bACCiC0xOrAJ2Lo+fJiMbuLkuZuUMChs0BPo6CeQ0IMOIAAAgAAAIABAAAEAAABAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-(3-hexylsulfanyl-4-methoxy-phenyl)-7-methyl-imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[3-(hexylthio)-4-methoxyphenyl]-7-methyl-3-imidazo[1,2-a]pyridinamine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-(3-hexylsulfanyl-4-methoxy-phenyl)-7-methyl-imidazo[1,2-a]pyridin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexyl-[2-[3-(hexylthio)-4-methoxy-phenyl]-7-methyl-imidazo[1,2-a]pyridin-3-yl]amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H37N3OS.C2HF3O2/c1-4-5-6-10-17-32-24-19-21(13-14-23(24)31-3)26-27(28-22-11-8-7-9-12-22)30-16-15-20(2)18-25(30)29-26;3-2(4,5)1(6)7/h13-16,18-19,22,28H,4-12,17H2,1-3H3;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
XZTREHNMDVRGGU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
565.25859774

> <PUBCHEM_MOLECULAR_FORMULA>
C29H38F3N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
565.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4)OC.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCSC1=C(C=CC(=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4)OC.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
565.25859774

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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  18  8
10  19  8
17  18  8
19  22  8
20  25  8
20  26  8
21  24  8
22  23  8
23  24  8
25  27  8
26  28  8
27  30  8
28  30  8
9  17  8
9  19  8
9  21  8

$$$$