
 CHEMBL338940

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL338940

>  <PubChem CID>
10455159

>  <Formula>
C26H26N4O2

>  <Molecular Weight>
426.520000

>  <IUPAC Name>
2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-4-ylacetonitrile

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1C(C#N)C2=CC=NC=C2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
C1CN(CCN1C(C#N)C2=CC=NC=C2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C26H26N4O2/c27-20-24(21-11-13-28-14-12-21)29-15-17-30(18-16-29)25(31)19-26(32,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,32H,15-19H2

>  <InChI Key>
FQQHZKLGYQTVQN-UHFFFAOYSA-N

