
 CHEMBL3915132

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3915132

>  <PubChem CID>
118521955

>  <Formula>
C26H35N5O2

>  <Molecular Weight>
449.599000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC=CC(=N1)C(=O)NC2=CC=CC(=C2)C(C)N3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC1=NC=CC(=N1)C(=O)NC2=CC=CC(=C2)C(C)N3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H35N5O2/c1-18(31-15-12-20(13-16-31)25(32)29-22-8-4-3-5-9-22)21-7-6-10-23(17-21)30-26(33)24-11-14-27-19(2)28-24/h6-7,10-11,14,17-18,20,22H,3-5,8-9,12-13,15-16H2,1-2H3,(H,29,32)(H,30,33)

>  <InChI Key>
ABTMEKLDDFJOTC-UHFFFAOYSA-N

