General Information of the Compound
Compound ID
CP0471020
Compound Name
2-[4-[(3,4-dichlorophenyl)sulfonylamino]pyridin-3-yl]oxybenzoic acid
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Structure
Formula
C18H12Cl2N2O5S
Molecular Weight
439.276
Canonical SMILES
OC(=O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C18H12Cl2N2O5S/c19-13-6-5-11(9-14(13)20)28(25,26)22-15-7-8-21-10-17(15)27-16-4-2-1-3-12(16)18(23)24/h1-10H,(H,21,22)(H,23,24)
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InChIKey
CEGJWTUOZKZMBT-UHFFFAOYSA-N
Physicochemical Property
logP
4.6797
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
105.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 49798398
ChEMBL ID
CHEMBL1170800
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 = 50.12 nM
   TI
   LI
   LO
   TS