
 CHEMBL3984153

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3984153

>  <PubChem CID>
129626056

>  <Formula>
C26H33ClN4O2

>  <Molecular Weight>
469.026000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=NC=CC(=C2)Cl)N3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=NC=CC(=C2)Cl)N3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H33ClN4O2/c1-18(31-14-11-19(12-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-17-21(27)10-13-28-24/h5-6,9-10,13,16-19,22H,2-4,7-8,11-12,14-15H2,1H3,(H,29,32)(H,30,33)

>  <InChI Key>
DESFFPFSGVTKKX-UHFFFAOYSA-N

