General Information of the Compound
Compound ID
CP0574971
Compound Name
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(3-methylphenyl)acetamide
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Structure
Formula
C21H19ClN2O4S
Molecular Weight
430.913
Canonical SMILES
Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(c2)S(N)(=O)=O)c1
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InChI
InChI=1S/C21H19ClN2O4S/c1-14-4-2-5-15(10-14)11-21(25)24-17-8-9-19(20(13-17)29(23,26)27)28-18-7-3-6-16(22)12-18/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)
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InChIKey
FXBOQPIIDMAIHA-UHFFFAOYSA-N
Physicochemical Property
logP
4.26932
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 124125475
ChEMBL ID
CHEMBL4443234
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 = 52 nM
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