
 CHEMBL2158778

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2158778

>  <PubChem CID>
71451390

>  <Formula>
C26H32ClFN2O3

>  <Molecular Weight>
475.001000

>  <IUPAC Name>
(2S)-2-[4-[[4-(4-chlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1CN2CCC(CC2)OC3=CC=C(C=C3)Cl)C(CC4=CC=C(C=C4)F)C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1CN2CCC(CC2)OC3=CC=C(C=C3)Cl)[C@@H](CC4=CC=C(C=C4)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H32ClFN2O3/c27-21-3-7-23(8-4-21)33-24-11-13-29(14-12-24)18-20-9-15-30(16-10-20)25(26(31)32)17-19-1-5-22(28)6-2-19/h1-8,20,24-25H,9-18H2,(H,31,32)/t25-/m0/s1

>  <InChI Key>
BATQCPTUBUKUDO-VWLOTQADSA-N

