General Information of the Compound
Compound ID
CP0520067
Compound Name
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(2-chlorophenyl)propanamide
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Structure
Formula
C21H18Cl2N2O4S
Molecular Weight
465.358
Canonical SMILES
CC(C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O)c1ccccc1Cl
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InChI
InChI=1S/C21H18Cl2N2O4S/c1-13(17-7-2-3-8-18(17)23)21(26)25-15-9-10-19(20(12-15)30(24,27)28)29-16-6-4-5-14(22)11-16/h2-13H,1H3,(H,25,26)(H2,24,27,28)
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InChIKey
VEWWKDDLVHOWCW-UHFFFAOYSA-N
Physicochemical Property
logP
5.1753
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: 124125321
ChEMBL ID
CHEMBL4593104
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 = 134 nM
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