
 CHEMBL347132

 61 64  0  0  0  0  0  0  0  0999 V2000
    1.6310    0.8771    0.9129 C   0  0  0  0  0
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    1.6829    1.8697    1.3712 H   0  0  0  0  0
    1.3248    0.1838    1.7029 H   0  0  0  0  0
    0.8672    0.9143    0.1308 H   0  0  0  0  0
    3.6589    2.5329    0.3046 H   0  0  0  0  0
    5.8855    1.9993   -0.5958 H   0  0  0  0  0
    6.4965   -0.3534   -1.0897 H   0  0  0  0  0
    4.8675   -2.1527   -0.7266 H   0  0  0  0  0
    2.4293   -2.2731    1.3021 H   0  0  0  0  0
    2.7928   -2.9171   -0.2891 H   0  0  0  0  0
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    0.7679   -2.2459   -3.5781 H   0  0  0  0  0
    2.0460   -2.8677   -2.5858 H   0  0  0  0  0
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    1.4812   -4.6644   -0.8249 H   0  0  0  0  0
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    0.4667   -3.5489    1.1264 H   0  0  0  0  0
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   -4.2055   -4.2410   -4.9349 H   0  0  0  0  0
   -1.8052   -2.9767   -6.2733 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
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 23 24  2  0  0  0
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 28 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL347132

>  <PubChem CID>
10023442

>  <Formula>
C25H32N2O2

>  <Molecular Weight>
392.543000

>  <IUPAC Name>
1-cyclobutyl-1-hydroxy-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1CN2CCN(CC2)CC(=O)C(C3CCC3)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
CC1=CC=CC=C1CN2CCN(CC2)CC(=O)C(C3CCC3)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C25H32N2O2/c1-20-8-5-6-9-21(20)18-26-14-16-27(17-15-26)19-24(28)25(29,23-12-7-13-23)22-10-3-2-4-11-22/h2-6,8-11,23,29H,7,12-19H2,1H3

>  <InChI Key>
AEMMCUXFNWMHGP-UHFFFAOYSA-N

