
 CHEMBL3917580

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3917580

>  <PubChem CID>
129626096

>  <Formula>
C25H31ClN4O2

>  <Molecular Weight>
454.999000

>  <IUPAC Name>
1-[[5-[(4-chlorobenzoyl)amino]pyridin-3-yl]methyl]-N-cyclohexylpiperidine-4-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C25H31ClN4O2/c26-21-8-6-19(7-9-21)24(31)29-23-14-18(15-27-16-23)17-30-12-10-20(11-13-30)25(32)28-22-4-2-1-3-5-22/h6-9,14-16,20,22H,1-5,10-13,17H2,(H,28,32)(H,29,31)

>  <InChI Key>
AZFLPXGKNFDPPZ-UHFFFAOYSA-N

