
 CHEMBL2158025

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2158025

>  <PubChem CID>
71454898

>  <Formula>
C29H29N3OS

>  <Molecular Weight>
467.631000

>  <IUPAC Name>
N-[1-[2-(2-phenylphenyl)sulfanylethyl]piperidin-4-yl]quinoline-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C2=NC3=CC=CC=C3C=C2)CCSC4=CC=CC=C4C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C2=NC3=CC=CC=C3C=C2)CCSC4=CC=CC=C4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H29N3OS/c33-29(27-15-14-23-10-4-6-12-26(23)31-27)30-24-16-18-32(19-17-24)20-21-34-28-13-7-5-11-25(28)22-8-2-1-3-9-22/h1-15,24H,16-21H2,(H,30,33)

>  <InChI Key>
AEOMCRCZEAWQBH-UHFFFAOYSA-N

