General Information of the Compound
Compound ID
CP0556825
Compound Name
6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
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Formula
C24H21ClN4O
Molecular Weight
416.912
Canonical SMILES
Cc1cccc(n1)-c1ccc(c(Cl)c1)-c1ccc2c(n[nH]c2c1)C(=O)NCC1CC1
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InChI
InChI=1S/C24H21ClN4O/c1-14-3-2-4-21(27-14)17-8-9-18(20(25)11-17)16-7-10-19-22(12-16)28-29-23(19)24(30)26-13-15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,26,30)(H,28,29)
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InChIKey
BNMUINYVLBLALD-UHFFFAOYSA-N
Physicochemical Property
logP
5.39352
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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
CHEMBL4789576
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 = 229 nM
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