General Information of the Compound
Compound ID
CP0554564
Compound Name
6-[2-chloro-4-(2-oxopyridin-1-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide
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Formula
C20H15ClN4O2
Molecular Weight
378.819
Canonical SMILES
CNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1ccccc1=O
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InChI
InChI=1S/C20H15ClN4O2/c1-22-20(27)19-15-7-5-12(10-17(15)23-24-19)14-8-6-13(11-16(14)21)25-9-3-2-4-18(25)26/h2-11H,1H3,(H,22,27)(H,23,24)
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InChIKey
WOJAANWEXSCVCU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3938
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
79.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CHEMBL4763427
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: PT01042, Serine/threonine-protein kinase PAK 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 330 nM
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