
 CHEMBL2158790

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2158790

>  <PubChem CID>
66615627

>  <Formula>
C28H35Cl2FN2O3

>  <Molecular Weight>
537.497000

>  <IUPAC Name>
(2S)-2-[4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1Cl)Cl)OC2CCN(CC2)CC3CCN(CC3)C(C)(CC4=CC=C(C=C4)F)C(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC(=C1Cl)Cl)OC2CCN(CC2)CC3CCN(CC3)[C@@](C)(CC4=CC=C(C=C4)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C28H35Cl2FN2O3/c1-19-25(8-7-24(29)26(19)30)36-23-11-13-32(14-12-23)18-21-9-15-33(16-10-21)28(2,27(34)35)17-20-3-5-22(31)6-4-20/h3-8,21,23H,9-18H2,1-2H3,(H,34,35)/t28-/m0/s1

>  <InChI Key>
AYPGYVOWMUSFPT-NDEPHWFRSA-N

