
 CHEMBL3913386

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

>  <Chemical Name>
CHEMBL3913386

>  <PubChem CID>
129626114

>  <Formula>
C25H30Cl2N4O2

>  <Molecular Weight>
489.441000

>  <IUPAC Name>
2,6-dichloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-3-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C25H30Cl2N4O2/c26-22-10-9-21(23(27)30-22)25(33)29-20-8-4-5-17(15-20)16-31-13-11-18(12-14-31)24(32)28-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,28,32)(H,29,33)

>  <InChI Key>
BZELVAFJYPDJDK-UHFFFAOYSA-N

