General Information of the Compound
Compound ID
CP0427754
Compound Name
4-[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]pyridin-2-yl]oxybenzoic acid
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Structure
Formula
C18H11Cl3N2O5S
Molecular Weight
473.721
Canonical SMILES
OC(=O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
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InChI
InChI=1S/C18H11Cl3N2O5S/c19-11-7-16(23-29(26,27)13-5-6-14(20)15(21)8-13)17(22-9-11)28-12-3-1-10(2-4-12)18(24)25/h1-9,23H,(H,24,25)
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InChIKey
MLYSUAYMCWSVRI-UHFFFAOYSA-N
Physicochemical Property
logP
5.3331
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
105.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 49798436
ChEMBL ID
CHEMBL1170829
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: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.162 nM
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   LI
   LO
   TS