General Information of the Compound
Compound ID
CP0488307
Compound Name
2-[6-[(2,3-dichlorophenyl)sulfonylamino]-5-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
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Structure
Formula
C16H14Cl2N4O5S
Molecular Weight
445.284
Canonical SMILES
COc1cc2[nH]c(=O)n(CC(N)=O)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C16H14Cl2N4O5S/c1-27-12-6-9-11(22(7-14(19)23)16(24)20-9)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24)
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InChIKey
YUZGLBMXNPELSU-UHFFFAOYSA-N
Physicochemical Property
logP
1.9311
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
136.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 118706822
ChEMBL ID
CHEMBL3310831
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 > 31622.78 nM
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