
 CHEMBL288244

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL288244

>  <PubChem CID>
10719425

>  <Formula>
C23H22Cl2FN3OS

>  <Molecular Weight>
478.407000

>  <IUPAC Name>
(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-thiophen-2-ylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1(CNCC2=CC=CC(=N2)C3=CC=CS3)F)C(=O)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC1(CNCC2=CC=CC(=N2)C3=CC=CS3)F)C(=O)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H22Cl2FN3OS/c24-18-7-6-16(13-19(18)25)22(30)29-10-8-23(26,9-11-29)15-27-14-17-3-1-4-20(28-17)21-5-2-12-31-21/h1-7,12-13,27H,8-11,14-15H2

>  <InChI Key>
ADGCARVTPQCUGH-UHFFFAOYSA-N

