General Information of the Compound
Compound ID
CP0556978
Compound Name
6-[2-chloro-4-(2-oxopyridin-1-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
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Formula
C23H19ClN4O2
Molecular Weight
418.884
Canonical SMILES
Clc1cc(ccc1-c1ccc2c(n[nH]c2c1)C(=O)NCC1CC1)-n1ccccc1=O
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InChI
InChI=1S/C23H19ClN4O2/c24-19-12-16(28-10-2-1-3-21(28)29)7-9-17(19)15-6-8-18-20(11-15)26-27-22(18)23(30)25-13-14-4-5-14/h1-3,6-12,14H,4-5,13H2,(H,25,30)(H,26,27)
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InChIKey
KUVWGFGQJQTGMB-UHFFFAOYSA-N
Physicochemical Property
logP
4.174
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
79.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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
CHEMBL4782048
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 = 590 nM
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