General Information of the Compound
Compound ID
CP0322719
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-ethyl-1H-indazole-3-carboxamide
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Formula
C22H19ClN4O2
Molecular Weight
406.873
Canonical SMILES
CCNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
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InChI
InChI=1S/C22H19ClN4O2/c1-3-24-21(28)20-17-8-6-14(11-19(17)25-26-20)16-9-7-15(12-18(16)23)27-10-4-5-13(2)22(27)29/h4-12H,3H2,1-2H3,(H,24,28)(H,25,26)
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InChIKey
DZXPJQNVEIDPGE-UHFFFAOYSA-N
Physicochemical Property
logP
4.09232
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
79.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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
CHEMBL4748552
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 = 45 nM
   TI
   LI
   LO
   TS
Protein ID: PT01317, Serine/threonine-protein kinase PAK 4
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