General Information of the Compound
Compound ID
CP0502322
Compound Name
2-[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]pyridin-2-yl]oxy-6-fluorobenzoic acid
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Structure
Formula
C18H10Cl3FN2O5S
Molecular Weight
491.711
Canonical SMILES
OC(=O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C18H10Cl3FN2O5S/c19-9-6-14(24-30(27,28)10-4-5-11(20)12(21)7-10)17(23-8-9)29-15-3-1-2-13(22)16(15)18(25)26/h1-8,24H,(H,25,26)
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InChIKey
MNLVCOBPDKQJKG-UHFFFAOYSA-N
Physicochemical Property
logP
5.4722
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
105.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 49798434
ChEMBL ID
CHEMBL1170827
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 = 1.995 nM
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   LI
   LO
   TS