
 CHEMBL512663

 59 63  0  0  0  0  0  0  0  0999 V2000
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    4.9695    1.8974    3.8142 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL512663

>  <PubChem CID>
44592264

>  <Formula>
C23H32ClFN2

>  <Molecular Weight>
390.971000

>  <IUPAC Name>
N-(1-adamantylmethyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-amine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NCC23CC4CC(C2)CC(C4)C3)CC5=C(C=C(C=C5)Cl)F

>  <Isomeric SMILES>
C1CN(CCC1NCC23CC4CC(C2)CC(C4)C3)CC5=C(C=C(C=C5)Cl)F

>  <InChI Std. ID>
InChI=1S/C23H32ClFN2/c24-20-2-1-19(22(25)10-20)14-27-5-3-21(4-6-27)26-15-23-11-16-7-17(12-23)9-18(8-16)13-23/h1-2,10,16-18,21,26H,3-9,11-15H2

>  <InChI Key>
ALBVJLPJWBKRIC-UHFFFAOYSA-N

