General Information of the Compound
Compound ID
CP0474972
Compound Name
2,3-dichloro-N-(1-methylindazol-4-yl)benzenesulfonamide
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Structure
Formula
C14H11Cl2N3O2S
Molecular Weight
356.234
Canonical SMILES
Cn1ncc2c(NS(=O)(=O)c3cccc(Cl)c3Cl)cccc12
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InChI
InChI=1S/C14H11Cl2N3O2S/c1-19-12-6-3-5-11(9(12)8-17-19)18-22(20,21)13-7-2-4-10(15)14(13)16/h2-8,18H,1H3
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InChIKey
QLUQFZCZCPWWFV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6809
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137652382
ChEMBL ID
CHEMBL4078359
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 = 3162.28 nM
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