53313015
  -OEChem-04262416532D

 72 75  0     0  0  0  0  0  0999 V2000
    0.0000    5.9407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    3.2087    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   13.4413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7470   14.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5443    4.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53313015

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
669

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MYBEAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB8AAAHwYQCAAADC7F3za/v5/MHgioAzb3bACCiC0xP7AJ2Lo+fpiMbuLlu5vUMChs0BPo6CeQ0IMOIAAAgAAAIABAAAEAAABAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-N-cyclohexyl-2-[3-(cyclohexylthio)-4-methoxyphenyl]-3-imidazo[1,2-a]pyridinamine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-<I>N</I>-cyclohexyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
6-chloro-N-cyclohexyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H32ClN3OS.C2HF3O2/c1-31-22-14-12-18(16-23(22)32-21-10-6-3-7-11-21)25-26(28-20-8-4-2-5-9-20)30-17-19(27)13-15-24(30)29-25;3-2(4,5)1(6)7/h12-17,20-21,28H,2-11H2,1H3;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
ASYCFGQJEPQECP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
583.1883253

> <PUBCHEM_MOLECULAR_FORMULA>
C28H33ClF3N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
584.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)NC4CCCCC4)SC5CCCCC5.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)NC4CCCCC4)SC5CCCCC5.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
583.1883253

> <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  24  8
10  28  8
10  30  8
11  25  8
11  28  8
24  25  8
26  29  8
26  31  8
27  29  8
27  32  8
28  33  8
30  35  8
31  34  8
32  34  8
33  36  8
35  36  8

$$$$