
 CHEMBL3958178

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3958178

>  <PubChem CID>
59176531

>  <Formula>
C24H27N5

>  <Molecular Weight>
385.515000

>  <IUPAC Name>
(8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)NCC3=NC=CC4=C3N(C5=CC=CC=C45)CCCN

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)NCC3=NC=CC4=C3N(C5=CC=CC=C45)CCCN

>  <InChI Std. ID>
InChI=1S/C24H27N5/c25-12-5-15-29-22-10-2-1-8-18(22)19-11-14-26-21(24(19)29)16-28-20-9-3-6-17-7-4-13-27-23(17)20/h1-2,4,7-8,10-11,13-14,20,28H,3,5-6,9,12,15-16,25H2/t20-/m0/s1

>  <InChI Key>
ANEBBEKYLUMKMR-FQEVSTJZSA-N

