56838295
  -OEChem-05062403502D

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   12.1279   -1.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1581    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
   10.1279   -1.5972    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
    4.2086    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5408    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    5.3563    2.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7320    0.0228    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
   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
    7.3179   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   11.5202   -3.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -1.1341    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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M  END
> <PUBCHEM_COMPOUND_CID>
56838295

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB8AAAHgAQAAAADCjhnwY/8J/MHACgAzZnZACCgC0xEqAJ2KA4dJiKaOLAmZGXIAhokALYyCcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30N4O/c1-18-7-12-22-26-23(24(28(22)17-18)25-20-5-3-2-4-6-20)19-8-10-21(11-9-19)27-13-15-29-16-14-27/h7-12,17,20,25H,2-6,13-16H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ITCJJNJMYCQGTM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
390.24196159

> <PUBCHEM_MOLECULAR_FORMULA>
C24H30N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
390.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)N5CCOCC5)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)N5CCOCC5)C=C1

> <PUBCHEM_CACTVS_TPSA>
41.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
390.24196159

> <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  13  8
14  22  8
15  20  8
15  21  8
16  23  8
17  26  8
17  27  8
20  26  8
21  27  8
22  28  8
23  28  8
3  12  8
3  14  8
3  16  8
4  13  8
4  14  8

$$$$