
 CHEMBL3354075

 72 74  0  0  0  0  0  0  0  0999 V2000
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    5.5926   -6.5400   10.0031 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3354075

>  <PubChem CID>
118719928

>  <Formula>
C26H42N2O2

>  <Molecular Weight>
414.634000

>  <IUPAC Name>
1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CCCCCCCCCO)CCCN2C(=O)CCC3=CC=CC=C32

>  <Isomeric SMILES>
C1CN(CCC1CCCCCCCCCO)CCCN2C(=O)CCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2

>  <InChI Key>
AWEBVNCNTLOVSN-UHFFFAOYSA-N

