
 CHEMBL506803

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M  END

>  <Chemical Name>
CHEMBL506803

>  <PubChem CID>
44574706

>  <Formula>
C27H26Cl2FN

>  <Molecular Weight>
454.410000

>  <IUPAC Name>
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2CC(CC1N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)(CF)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CC2CC(CC1N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)(CF)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H26Cl2FN/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2

>  <InChI Key>
AEHBDXWWYVXDOD-UHFFFAOYSA-N

