General Information of the Compound
Compound ID
CP0562250
Compound Name
7-methoxy-3-methyl-9H-pyrido[3,4-b]indole
    Show/Hide
Formula
C13H12N2O
Molecular Weight
212.252
Canonical SMILES
COc1ccc2c(c1)[nH]c1cnc(C)cc21
    Show/Hide
InChI
InChI=1S/C13H12N2O/c1-8-5-11-10-4-3-9(16-2)6-12(10)15-13(11)7-14-8/h3-7,15H,1-2H3
    Show/Hide
InChIKey
QPHJUARHMIHBOL-UHFFFAOYSA-N
Physicochemical Property
logP
3.03312
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4859020
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS