57398408
  -OEChem-04262418092D

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    2.0000   -0.5972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.1279   -1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6279   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9945    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    1.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5987    3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    0.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    2.4783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -3.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202   -3.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105   -0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202   -0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6029   -1.9957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6029   -1.1987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9379   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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  2 41  1  0  0  0  0
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  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
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  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
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  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
57398408

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAEAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB8AAAHAIQAAAADCrBHyQ98J/MGACgAzZnZACCgC0xF6AJ2KA4dpiIaOLBm5HUIAhokALIyCcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-N-cyclohexyl-2-[4-(1-piperidyl)phenyl]imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-N-cyclohexyl-2-[4-(1-piperidinyl)phenyl]-3-imidazo[1,2-a]pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-<I>N</I>-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_NAME>
6-chloro-N-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-N-cyclohexyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6-chloro-2-(4-piperidinophenyl)imidazo[1,2-a]pyridin-3-yl]-cyclohexyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H29ClN4/c25-19-11-14-22-27-23(24(29(22)17-19)26-20-7-3-1-4-8-20)18-9-12-21(13-10-18)28-15-5-2-6-16-28/h9-14,17,20,26H,1-8,15-16H2

> <PUBCHEM_IUPAC_INCHIKEY>
CYZCTDZJYYJZCE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.1

> <PUBCHEM_EXACT_MASS>
408.2080746

> <PUBCHEM_MOLECULAR_FORMULA>
C24H29ClN4

> <PUBCHEM_MOLECULAR_WEIGHT>
409.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)N5CCCCC5

> <PUBCHEM_CACTVS_TPSA>
32.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.2080746

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  18  8
19  22  8
19  23  8
20  24  8
20  25  8
21  27  8
22  24  8
23  25  8
26  28  8
27  29  8
28  29  8
4  12  8
4  21  8
4  26  8
5  18  8
5  21  8

$$$$