General Information of the Compound
Compound ID
CP0575235
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide
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Formula
C27H22ClN5O2
Molecular Weight
483.959
Canonical SMILES
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCCc2ccncc2)c1=O
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InChI
InChI=1S/C27H22ClN5O2/c1-17-3-2-14-33(27(17)35)20-5-7-21(23(28)16-20)19-4-6-22-24(15-19)31-32-25(22)26(34)30-13-10-18-8-11-29-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,30,34)(H,31,32)
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InChIKey
IIZXIMJEBMKPJY-UHFFFAOYSA-N
Physicochemical Property
logP
4.71012
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
92.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
35

"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
CHEMBL4787358
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 = 21 nM
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