General Information of the Compound
Compound ID
CP0551400
Compound Name
2-(2-chlorophenyl)-N-[4-[3-(morpholine-4-carbonyl)phenoxy]-3-sulfamoylphenyl]acetamide
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Structure
Formula
C25H24ClN3O6S
Molecular Weight
530.002
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)C(=O)N1CCOCC1
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InChI
InChI=1S/C25H24ClN3O6S/c26-21-7-2-1-4-17(21)15-24(30)28-19-8-9-22(23(16-19)36(27,32)33)35-20-6-3-5-18(14-20)25(31)29-10-12-34-13-11-29/h1-9,14,16H,10-13,15H2,(H,28,30)(H2,27,32,33)
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InChIKey
UCLDKIULKLDSCX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4333
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
128.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 124125301
ChEMBL ID
CHEMBL4474747
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 = 45 nM
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