
 CHEMBL130586

 58 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL130586

>  <PubChem CID>
44351103

>  <Formula>
C27H28N2O

>  <Molecular Weight>
396.534000

>  <IUPAC Name>
5-benzyl-2-(3-phenoxypropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC2=C1N(C3=CC=CC=C23)CC4=CC=CC=C4)CCCOC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CC2=C1N(C3=CC=CC=C23)CC4=CC=CC=C4)CCCOC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2

>  <InChI Key>
YOTAKMDVJZTBPZ-UHFFFAOYSA-N

