General Information of the Compound
Compound ID
CP0565242
Compound Name
1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxamide
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Formula
C16H14N4O2
Molecular Weight
294.314
Canonical SMILES
NC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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InChI
InChI=1S/C16H14N4O2/c17-14(21)9-3-4-10-11-5-6-18-15(13(11)19-12(10)7-9)20-16(22)8-1-2-8/h3-8,19H,1-2H2,(H2,17,21)(H,18,20,22)
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InChIKey
KRPHPYJQWFEWIN-UHFFFAOYSA-N
Physicochemical Property
logP
2.1635
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
100.87
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
22

"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
CHEMBL4872945
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 = 200 nM
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