General Information of the Compound
Compound ID
CP0558139
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
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Formula
C26H25ClN4O3
Molecular Weight
476.964
Canonical SMILES
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCC2CCOCC2)c1=O
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InChI
InChI=1S/C26H25ClN4O3/c1-16-3-2-10-31(26(16)33)19-5-7-20(22(27)14-19)18-4-6-21-23(13-18)29-30-24(21)25(32)28-15-17-8-11-34-12-9-17/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,28,32)(H,29,30)
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InChIKey
AIQPMMYFZXZUER-UHFFFAOYSA-N
Physicochemical Property
logP
4.49902
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
89.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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
CHEMBL4784560
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 = 42 nM
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