General Information of the Compound
Compound ID
CP0426488
Compound Name
2-(2-chlorophenyl)-N-[4-(1-methylpyrazol-4-yl)oxy-3-sulfamoylphenyl]acetamide
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Structure
Formula
C18H17ClN4O4S
Molecular Weight
420.878
Canonical SMILES
Cn1cc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cn1
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InChI
InChI=1S/C18H17ClN4O4S/c1-23-11-14(10-21-23)27-16-7-6-13(9-17(16)28(20,25)26)22-18(24)8-12-4-2-3-5-15(12)19/h2-7,9-11H,8H2,1H3,(H,22,24)(H2,20,25,26)
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InChIKey
ZOUZSCAGUSQIPB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6944
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
116.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 124125282
ChEMBL ID
CHEMBL4462109
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 = 185 nM
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