
 CHEMBL415223

 85 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL415223

>  <PubChem CID>
16082913

>  <Formula>
C37H44N2O2

>  <Molecular Weight>
548.771000

>  <IUPAC Name>
N-[(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-2-[(E)-3-(2-methylphenyl)prop-2-enyl]-2-azabicyclo[3.3.1]nonan-7-yl]-1-phenylcyclopentane-1-carboxamide

>  <XlogP>
8.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CN(C2CC(CC1(C2)C3=CC(=CC=C3)O)NC(=O)C4(CCCC4)C5=CC=CC=C5)CC=CC6=CC=CC=C6C

>  <Isomeric SMILES>
C[C@H]1CN([C@@H]2C[C@H](C[C@]1(C2)C3=CC(=CC=C3)O)NC(=O)C4(CCCC4)C5=CC=CC=C5)C/C=C/C6=CC=CC=C6C

>  <InChI Std. ID>
InChI=1S/C37H44N2O2/c1-27-12-6-7-13-29(27)14-11-21-39-26-28(2)37(31-17-10-18-34(40)22-31)24-32(23-33(39)25-37)38-35(41)36(19-8-9-20-36)30-15-4-3-5-16-30/h3-7,10-18,22,28,32-33,40H,8-9,19-21,23-26H2,1-2H3,(H,38,41)/b14-11+/t28-,32+,33+,37+/m0/s1

>  <InChI Key>
ADQGIQSGEOKLRL-RAGWYKPHSA-N

