General Information of the Compound
Compound ID
CP0513683
Compound Name
2,3-dichloro-N-(3-methoxy-1-methylindazol-4-yl)benzenesulfonamide
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Structure
Formula
C15H13Cl2N3O3S
Molecular Weight
386.26
Canonical SMILES
COc1nn(C)c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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InChI
InChI=1S/C15H13Cl2N3O3S/c1-20-11-7-4-6-10(13(11)15(18-20)23-2)19-24(21,22)12-8-3-5-9(16)14(12)17/h3-8,19H,1-2H3
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InChIKey
FQLWTPWEAMRLDR-UHFFFAOYSA-N
Physicochemical Property
logP
3.6895
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
73.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 137632304
ChEMBL ID
CHEMBL4067451
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: PT01508, C-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 794.33 nM
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