General Information of the Compound
Compound ID
CP0226249
Compound Name
3,4-dichloro-N-(5-chloro-2-pyridin-3-yloxypyridin-3-yl)benzenesulfonamide
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Structure
Formula
C16H10Cl3N3O3S
Molecular Weight
430.7
Canonical SMILES
Clc1cnc(Oc2cccnc2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
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InChI
InChI=1S/C16H10Cl3N3O3S/c17-10-6-15(16(21-8-10)25-11-2-1-5-20-9-11)22-26(23,24)12-3-4-13(18)14(19)7-12/h1-9,22H
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InChIKey
MCLJHXMLKYITBX-UHFFFAOYSA-N
Physicochemical Property
logP
5.0299
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 49798438
ChEMBL ID
CHEMBL1170722
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 = 19.95 nM
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   LI
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