
 CHEMBL3972023

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3972023

>  <PubChem CID>
129626019

>  <Formula>
C28H37N3O2

>  <Molecular Weight>
447.623000

>  <IUPAC Name>
N-cyclohexyl-1-[[3-(3-phenylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)CCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)CCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H37N3O2/c32-27(15-14-22-8-3-1-4-9-22)29-26-13-7-10-23(20-26)21-31-18-16-24(17-19-31)28(33)30-25-11-5-2-6-12-25/h1,3-4,7-10,13,20,24-25H,2,5-6,11-12,14-19,21H2,(H,29,32)(H,30,33)

>  <InChI Key>
CIJSUDVKQRGPCF-UHFFFAOYSA-N

