
 CHEMBL3890801

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

>  <Chemical Name>
CHEMBL3890801

>  <PubChem CID>
72703641

>  <Formula>
C25H31ClN4O2

>  <Molecular Weight>
454.999000

>  <IUPAC Name>
5-chloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C25H31ClN4O2/c26-20-9-10-23(27-16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-11-19(12-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,28,31)(H,29,32)

>  <InChI Key>
CLSCXDVSGIDHTJ-UHFFFAOYSA-N

