General Information of the Compound
Compound ID
CP0575043
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
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Formula
C24H21ClN4O2
Molecular Weight
432.911
Canonical SMILES
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCC2CC2)c1=O
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InChI
InChI=1S/C24H21ClN4O2/c1-14-3-2-10-29(24(14)31)17-7-9-18(20(25)12-17)16-6-8-19-21(11-16)27-28-22(19)23(30)26-13-15-4-5-15/h2-3,6-12,15H,4-5,13H2,1H3,(H,26,30)(H,27,28)
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InChIKey
SHZDYBRYBGENMG-UHFFFAOYSA-N
Physicochemical Property
logP
4.48242
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
79.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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
CHEMBL4781551
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 = 34 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