
 CHEMBL3972572

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3972572

>  <PubChem CID>
129626048

>  <Formula>
C27H36N4O2

>  <Molecular Weight>
448.611000

>  <IUPAC Name>
N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)C(C)N3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)C(C)N3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C27H36N4O2/c1-19-15-23(18-28-17-19)27(33)30-25-10-6-7-22(16-25)20(2)31-13-11-21(12-14-31)26(32)29-24-8-4-3-5-9-24/h6-7,10,15-18,20-21,24H,3-5,8-9,11-14H2,1-2H3,(H,29,32)(H,30,33)

>  <InChI Key>
CAUUQRYFNVYXEI-UHFFFAOYSA-N

