57390429
  -OEChem-05092412452D

 60 64  0     0  0  0  0  0  0999 V2000
   10.1279   -1.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    0.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    2.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.7345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3563    3.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    3.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    2.8443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -2.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -2.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -2.7078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179   -3.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179   -0.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -3.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -0.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2479   -2.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 43  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 44  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
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 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 20 23  2  0  0  0  0
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 21 50  1  0  0  0  0
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 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57390429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
537

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHgAQAAAADCzhnwY/tp/MHACgAzZnZACCiC0xMqAJ2KA+fJiMbuLEuZuWOCjs0BPI6CeQ0KMOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H29N3O/c1-20-12-17-25-29-26(27(30(25)18-20)28-23-10-6-3-7-11-23)22-13-15-24(16-14-22)31-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,23,28H,3,6-7,10-11,19H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YZXBPEQVXMNLQM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.4

> <PUBCHEM_EXACT_MASS>
411.231062557

> <PUBCHEM_MOLECULAR_FORMULA>
C27H29N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
411.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C=C1

> <PUBCHEM_CACTVS_TPSA>
38.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.231062557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
11  12  8
13  16  8
14  17  8
15  19  8
15  20  8
16  18  8
17  18  8
19  22  8
20  23  8
22  24  8
23  24  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
3  11  8
3  13  8
3  14  8
30  31  8
4  12  8
4  13  8

$$$$