
 CHEMBL297883

 68 72  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL297883

>  <PubChem CID>
44289169

>  <Formula>
C31H33N3O

>  <Molecular Weight>
463.625000

>  <IUPAC Name>
[(2S,4R)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)C(=O)N2CC[C@H](C[C@@H]2CC3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C

>  <InChI Std. ID>
InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m1/s1

>  <InChI Key>
WQZUOBIIPDZRJP-IZLXSDGUSA-N

