General Information of the Compound
Compound ID
CP0440156
Compound Name
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(2,6-dichlorophenyl)acetamide
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Structure
Formula
C20H15Cl3N2O4S
Molecular Weight
485.776
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1Oc1cccc(Cl)c1
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InChI
InChI=1S/C20H15Cl3N2O4S/c21-12-3-1-4-14(9-12)29-18-8-7-13(10-19(18)30(24,27)28)25-20(26)11-15-16(22)5-2-6-17(15)23/h1-10H,11H2,(H,25,26)(H2,24,27,28)
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InChIKey
APMQUMCNTBOSHY-UHFFFAOYSA-N
Physicochemical Property
logP
5.2677
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 124125495
ChEMBL ID
CHEMBL4521017
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 = 15 nM
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