General Information of the Compound
Compound ID
CP0031322
Compound Name
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-1-(2-chlorophenyl)cyclopropane-1-carboxamide
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Structure
Formula
C22H18Cl2N2O4S
Molecular Weight
477.369
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)C2(CC2)c2ccccc2Cl)ccc1Oc1cccc(Cl)c1
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InChI
InChI=1S/C22H18Cl2N2O4S/c23-14-4-3-5-16(12-14)30-19-9-8-15(13-20(19)31(25,28)29)26-21(27)22(10-11-22)17-6-1-2-7-18(17)24/h1-9,12-13H,10-11H2,(H,26,27)(H2,25,28,29)
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InChIKey
JXAOITUGCKTSTF-UHFFFAOYSA-N
Physicochemical Property
logP
5.1034
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 155540682
ChEMBL ID
CHEMBL4516843
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 > 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 ~ 25000 nM