General Information of the Compound
Compound ID
CP0322736
Compound Name
6-(2-chlorophenyl)-N-methyl-1H-indazole-3-carboxamide
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Formula
C15H12ClN3O
Molecular Weight
285.734
Canonical SMILES
CNC(=O)c1n[nH]c2cc(ccc12)-c1ccccc1Cl
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InChI
InChI=1S/C15H12ClN3O/c1-17-15(20)14-11-7-6-9(8-13(11)18-19-14)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
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InChIKey
BYLHQRZMZFKBBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2429
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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
CHEMBL4748736
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 = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5000 nM