
 CHEMBL3972873

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3972873

>  <PubChem CID>
59176416

>  <Formula>
C27H32N6O

>  <Molecular Weight>
456.594000

>  <IUPAC Name>
2-[1-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide

>  <XlogP>
2.2

>  <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)CC(=O)N

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

>  <InChI Std. ID>
InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1

>  <InChI Key>
ABDLOXDCMBBRCJ-DEOSSOPVSA-N

