
 CHEMBL93168

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL93168

>  <PubChem CID>
489817

>  <Formula>
C29H31BrN2O

>  <Molecular Weight>
503.484000

>  <IUPAC Name>
(2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1C2=CC=CC=C2)CC3CN(CC3C4=CC=CC=C4)C(=O)C5=CC=CC=C5Br

>  <Isomeric SMILES>
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(=O)C5=CC=CC=C5Br

>  <InChI Std. ID>
InChI=1S/C29H31BrN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1

>  <InChI Key>
ABBUEGRTOFDVBQ-AHKZPQOWSA-N

