
 CHEMBL3957139

 78 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3957139

>  <PubChem CID>
59176372

>  <Formula>
C31H40N6O

>  <Molecular Weight>
512.702000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC=CC4=C3N(C5=CC=CC=C45)CCN6CCOCC6

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC=CC4=C3N(C5=CC=CC=C45)CCN6CCOCC6

>  <InChI Std. ID>
InChI=1S/C31H40N6O/c32-13-3-4-16-36(29-11-5-7-24-8-6-14-34-30(24)29)23-27-31-26(12-15-33-27)25-9-1-2-10-28(25)37(31)18-17-35-19-21-38-22-20-35/h1-2,6,8-10,12,14-15,29H,3-5,7,11,13,16-23,32H2/t29-/m0/s1

>  <InChI Key>
CVDHYOXZYVHTOU-LJAQVGFWSA-N

