57403590
  -OEChem-05112410402D

 55 59  0     0  0  0  0  0  0999 V2000
   11.2619   -1.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787    1.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0143    2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    0.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5738    0.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4903    2.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    0.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    3.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    2.4783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -3.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445   -0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -3.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445   -2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 40  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 27  2  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57403590

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
485

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB8AAAHgAQAAAADCjhngY98JfMHACgAzZnZACCgC0xEqAJ2KA4dJiKaOLA2dGXJAhokALYyCcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N5O/c1-2-5-18(6-3-1)24-21-20(25-22-23-11-4-12-27(21)22)17-7-9-19(10-8-17)26-13-15-28-16-14-26/h4,7-12,18,24H,1-3,5-6,13-16H2

> <PUBCHEM_IUPAC_INCHIKEY>
GRTTYDAVEXPIIC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
377.22156050

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
377.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N5CCOCC5

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.22156050

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
13  14  8
15  23  8
15  24  8
19  25  8
19  26  8
22  27  8
23  25  8
24  26  8
27  28  8
3  13  8
3  16  8
3  22  8
5  14  8
5  16  8
6  16  8
6  28  8

$$$$