General Information of the Compound
Compound ID
CP0517327
Compound Name
6-[2-chloro-4-(3-methyl-2-oxopyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
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Formula
C26H26ClN5O2
Molecular Weight
475.98
Canonical SMILES
CN1CCC(CC1)NC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
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InChI
InChI=1S/C26H26ClN5O2/c1-16-4-3-11-32(26(16)34)19-6-8-20(22(27)15-19)17-5-7-21-23(14-17)29-30-24(21)25(33)28-18-9-12-31(2)13-10-18/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,28,33)(H,29,30)
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InChIKey
HLLHTJVOLZBUIM-UHFFFAOYSA-N
Physicochemical Property
logP
4.16662
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
83.02
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
CHEMBL4755754
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 = 143 nM
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