General Information of the Compound
Compound ID
CP0548303
Compound Name
N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)cyclopropanecarboxamide
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Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
COc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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InChI
InChI=1S/C16H15N3O2/c1-21-10-4-5-11-12-6-7-17-15(14(12)18-13(11)8-10)19-16(20)9-2-3-9/h4-9,18H,2-3H2,1H3,(H,17,19,20)
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InChIKey
ROZKMAGOGKGRQD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0732
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
67.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

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ChEMBL ID
CHEMBL4846517
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 = 144 nM
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