
 CHEMBL3935318

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3935318

>  <PubChem CID>
59176357

>  <Formula>
C28H36N6

>  <Molecular Weight>
456.638000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC=CC4=C3N(C5=CC=CC=C45)CCCN

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC=CC4=C3N(C5=CC=CC=C45)CCCN

>  <InChI Std. ID>
InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1

>  <InChI Key>
ANWJCECNNDZVCW-SANMLTNESA-N

