General Information of the Compound
Compound ID
CP0546061
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
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Formula
C25H23ClN4O3
Molecular Weight
462.937
Canonical SMILES
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NC2CCOCC2)c1=O
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InChI
InChI=1S/C25H23ClN4O3/c1-15-3-2-10-30(25(15)32)18-5-7-19(21(26)14-18)16-4-6-20-22(13-16)28-29-23(20)24(31)27-17-8-11-33-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,27,31)(H,28,29)
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InChIKey
RKJFBCMAPMTVOY-UHFFFAOYSA-N
Physicochemical Property
logP
4.25142
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
89.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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
CHEMBL4794451
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 = 744 nM
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