General Information of the Compound
Compound ID
CP0550167
Compound Name
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]pyridin-4-yl]-2-(2,6-dichlorophenyl)acetamide
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Structure
Formula
C22H17Cl2N5O2
Molecular Weight
454.317
Canonical SMILES
CC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
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InChI
InChI=1S/C22H17Cl2N5O2/c1-14(30)29(17-7-10-28-16(12-17)6-9-26-28)21-11-15(5-8-25-21)27-22(31)13-18-19(23)3-2-4-20(18)24/h2-12H,13H2,1H3,(H,25,27,31)
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InChIKey
RUDCPBHIEYXMJR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9019
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
79.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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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PubChem ID
CID: 162746580
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 157 nM
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