
 CHEMBL103753

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

>  <Chemical Name>
CHEMBL103753

>  <PubChem CID>
10410208

>  <Formula>
C26H26N4O2

>  <Molecular Weight>
426.520000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

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

>  <InChI Key>
FMTWOXJEAYZPIZ-UHFFFAOYSA-N

