General Information of the Compound
Compound ID
CP0572157
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
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Formula
C23H21ClN4O3
Molecular Weight
436.899
Canonical SMILES
COCCNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
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InChI
InChI=1S/C23H21ClN4O3/c1-14-4-3-10-28(23(14)30)16-6-8-17(19(24)13-16)15-5-7-18-20(12-15)26-27-21(18)22(29)25-9-11-31-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,29)(H,26,27)
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InChIKey
HARQYNPOVDUMBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.71882
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
89.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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
CHEMBL4764182
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 = 71 nM
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