
 CHEMBL3898127

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3898127

>  <PubChem CID>
129626176

>  <Formula>
C27H32N4O2

>  <Molecular Weight>
444.579000

>  <IUPAC Name>
1-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C27H32N4O2/c28-18-20-9-11-22(12-10-20)26(32)30-25-8-4-5-21(17-25)19-31-15-13-23(14-16-31)27(33)29-24-6-2-1-3-7-24/h4-5,8-12,17,23-24H,1-3,6-7,13-16,19H2,(H,29,33)(H,30,32)

>  <InChI Key>
CCBHNNBGAXYMMJ-UHFFFAOYSA-N

