
 CHEMBL1683923

 59 61  0  0  0  0  0  0  0  0999 V2000
    0.8318    1.0589   -1.1580 C   0  0  0  0  0
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    2.5802    1.9845    1.2981 O   0  0  0  0  0
    1.1732    1.2432    3.0070 N   0  0  0  0  0
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    2.4032    3.0922    4.0346 C   0  0  0  0  0
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    1.8954    3.8200    6.2733 C   0  0  0  0  0
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    1.5006   -2.1304   -0.0866 H   0  0  0  0  0
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    0.5004    0.5025    3.1378 H   0  0  0  0  0
    3.0446    3.1983    3.1652 H   0  0  0  0  0
    3.4787    4.6410    5.0727 H   0  0  0  0  0
    2.1024    4.4563    7.1294 H   0  0  0  0  0
    0.2334    2.8747    7.2203 H   0  0  0  0  0
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   -8.6877   -4.0934   -0.8207 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
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  6  7  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1683923

>  <PubChem CID>
53326849

>  <Formula>
C23H31N3O2

>  <Molecular Weight>
381.520000

>  <IUPAC Name>
[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCN

>  <Isomeric SMILES>
C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCN

>  <InChI Std. ID>
InChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27)

>  <InChI Key>
AANNUKSOCVVCRY-UHFFFAOYSA-N

