
 CHEMBL344751

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M  END

>  <Chemical Name>
CHEMBL344751

>  <PubChem CID>
10788075

>  <Formula>
C26H28N2OS

>  <Molecular Weight>
416.583000

>  <IUPAC Name>
5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CS2)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CS2)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2

>  <InChI Key>
AMWWMOSIDFEYQX-UHFFFAOYSA-N

