
 CHEMBL120790

 68 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL120790

>  <PubChem CID>
44346117

>  <Formula>
C31H31N3O3

>  <Molecular Weight>
493.607000

>  <IUPAC Name>
benzyl 3-[[(2-benzyl-3-azabicyclo[2.2.1]heptane-3-carbonyl)amino]methyl]indole-1-carboxylate

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2CC1C(N2C(=O)NCC3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5)CC6=CC=CC=C6

>  <Isomeric SMILES>
C1CC2CC1C(N2C(=O)NCC3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C31H31N3O3/c35-30(34-26-16-15-24(18-26)29(34)17-22-9-3-1-4-10-22)32-19-25-20-33(28-14-8-7-13-27(25)28)31(36)37-21-23-11-5-2-6-12-23/h1-14,20,24,26,29H,15-19,21H2,(H,32,35)

>  <InChI Key>
HBORZUGNIHEQPK-UHFFFAOYSA-N

