General Information of the Compound
Compound ID
CP0132603
Compound Name
2-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxyacetamide
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Structure
Formula
C15H14Br2N2O5S
Molecular Weight
494.161
Canonical SMILES
ONC(=O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
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InChI
InChI=1S/C15H14Br2N2O5S/c16-11-5-10(6-12(17)7-11)9-24-13-1-3-14(4-2-13)25(22,23)18-8-15(20)19-21/h1-7,18,21H,8-9H2,(H,19,20)
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InChIKey
VONWNPCXOBRHMT-UHFFFAOYSA-N
Physicochemical Property
logP
2.5743
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
104.73
Hydrogen Bond Donor Count
3
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: 72714082
ChEMBL ID
CHEMBL2431021
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: PT01058, Disintegrin and metalloproteinase domain-containing protein 17
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  2
1
IC50 = 840 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000084 SK-OV-3 Homo sapiens (Human)  2
1
IC50 = 5301 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000476 A2774 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 105 nM