General Information of the Compound
Compound ID
CP0477147
Compound Name
2-(2-chlorophenyl)-N-[4-[3-(3-oxomorpholin-4-yl)phenoxy]-3-sulfamoylphenyl]acetamide
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Structure
Formula
C24H22ClN3O6S
Molecular Weight
515.975
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)N1CCOCC1=O
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InChI
InChI=1S/C24H22ClN3O6S/c25-20-7-2-1-4-16(20)12-23(29)27-17-8-9-21(22(13-17)35(26,31)32)34-19-6-3-5-18(14-19)28-10-11-33-15-24(28)30/h1-9,13-14H,10-12,15H2,(H,27,29)(H2,26,31,32)
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InChIKey
XOOPQZBHAREESY-UHFFFAOYSA-N
Physicochemical Property
logP
3.3241
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
128.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 124125228
ChEMBL ID
CHEMBL4451946
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 = 163 nM
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