
 CHEMBL454919

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL454919

>  <PubChem CID>
44562636

>  <Formula>
C32H36Cl2N2

>  <Molecular Weight>
519.554000

>  <IUPAC Name>
(1S,5S)-3-benzyl-8-[bis(2-chlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-8-azabicyclo[3.2.1]octane

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C1)CC2(CC3CCC(C2)N3C(C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CC6=CC=CC=C6

>  <Isomeric SMILES>
C1CCN(C1)CC2(C[C@@H]3CC[C@@H](C2)N3C(C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C32H36Cl2N2/c33-29-14-6-4-12-27(29)31(28-13-5-7-15-30(28)34)36-25-16-17-26(36)22-32(21-25,23-35-18-8-9-19-35)20-24-10-2-1-3-11-24/h1-7,10-15,25-26,31H,8-9,16-23H2/t25-,26-/m0/s1

>  <InChI Key>
AFWWICDZLXWMDM-UIOOFZCWSA-N

