
 CHEMBL3976878

 71 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3976878

>  <PubChem CID>
70923310

>  <Formula>
C31H34N6

>  <Molecular Weight>
490.655000

>  <IUPAC Name>
N-(pyridin-2-ylmethyl)-N'-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCNCC3=CC=CC=N3)CC4=NC=CC5=C4NC6=CC=CC=C56

>  <Isomeric SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCNCC3=CC=CC=N3)CC4=NC=CC5=C4NC6=CC=CC=C56

>  <InChI Std. ID>
InChI=1S/C31H34N6/c1-2-13-27-25(12-1)26-15-19-34-28(31(26)36-27)22-37(29-14-7-9-23-10-8-18-35-30(23)29)20-6-5-16-32-21-24-11-3-4-17-33-24/h1-4,8,10-13,15,17-19,29,32,36H,5-7,9,14,16,20-22H2

>  <InChI Key>
BKTYGKVLRGWGKG-UHFFFAOYSA-N

