General Information of the Compound
Compound ID
CP0513070
Compound Name
2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
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Structure
Formula
C15H13Cl2N3O4S
Molecular Weight
402.259
Canonical SMILES
COc1cc2n(C)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C15H13Cl2N3O4S/c1-20-11-7-12(24-2)10(6-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21)
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InChIKey
QXMHYDRJALDQHP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9828
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
93.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 118706818
ChEMBL ID
CHEMBL3310827
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 = 199.53 nM
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