General Information of the Compound
Compound ID
CP0473844
Compound Name
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
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Structure
Formula
C14H11Cl2N3O4S
Molecular Weight
388.232
Canonical SMILES
COc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C14H11Cl2N3O4S/c1-23-11-6-9-8(17-14(20)18-9)5-10(11)19-24(21,22)12-4-2-3-7(15)13(12)16/h2-6,19H,1H3,(H2,17,18,20)
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InChIKey
RQWNFNYBAAPHTG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9724
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
104.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 118706817
ChEMBL ID
CHEMBL3310826
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 = 316.23 nM
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