
 CHEMBL208900

 57 60  0  0  0  0  0  0  0  0999 V2000
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  2 35  1  0  0  0
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  8 10  1  0  0  0
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 31 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL208900

>  <PubChem CID>
9845189

>  <Formula>
C27H25N3O2

>  <Molecular Weight>
423.516000

>  <IUPAC Name>
N-phenyl-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCC1CC(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C27H25N3O2/c31-26(29-25-10-2-1-3-11-25)20-22-14-17-30(18-15-22)27(32)23-8-6-7-21(19-23)12-13-24-9-4-5-16-28-24/h1-11,16,19,22H,14-15,17-18,20H2,(H,29,31)

>  <InChI Key>
AMPSKISTSYREGO-UHFFFAOYSA-N

