
 CHEMBL3970605

 64 67  0  0  0  0  0  0  0  0999 V2000
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  6 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3970605

>  <PubChem CID>
72705037

>  <Formula>
C26H31ClFN3O2

>  <Molecular Weight>
472.001000

>  <IUPAC Name>
1-[[3-[(3-chloro-5-fluorobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C26H31ClFN3O2/c27-21-14-20(15-22(28)16-21)26(33)30-24-8-4-5-18(13-24)17-31-11-9-19(10-12-31)25(32)29-23-6-2-1-3-7-23/h4-5,8,13-16,19,23H,1-3,6-7,9-12,17H2,(H,29,32)(H,30,33)

>  <InChI Key>
APKJPHVGULVLIT-UHFFFAOYSA-N

