
 CHEMBL372983

 59 63  0  0  0  0  0  0  0  0999 V2000
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    5.1663   -3.4509    2.7452 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL372983

>  <PubChem CID>
11595794

>  <Formula>
C23H32N2O2

>  <Molecular Weight>
368.521000

>  <IUPAC Name>
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)C2C3=CC=CC=C3CCN2C(=O)OC4CN5CCC4CC5

>  <Isomeric SMILES>
C1CCC(CC1)C2C3=CC=CC=C3CCN2C(=O)O[C@H]4CN5CCC4CC5

>  <InChI Std. ID>
InChI=1S/C23H32N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h4-6,9,18-19,21-22H,1-3,7-8,10-16H2/t21-,22?/m0/s1

>  <InChI Key>
FCXWHPXCAHMELT-HMTLIYDFSA-N

