General Information of the Compound
Compound ID
CP0144469
Compound Name
N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]acetamide
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Structure
Formula
C14H14N2O5S
Molecular Weight
322.342
Canonical SMILES
ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C14H14N2O5S/c17-14(16-18)10-15-22(19,20)13-8-6-12(7-9-13)21-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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InChIKey
YJRJYIQWWPZSTM-UHFFFAOYSA-N
Physicochemical Property
logP
1.2626
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
104.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 44404553
ChEMBL ID
CHEMBL198778
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: PT01178, A disintegrin and metalloproteinase with thrombospondin motifs 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 580 nM
   TI
   LI
   LO
   TS
Protein ID: PT01250, A disintegrin and metalloproteinase with thrombospondin motifs 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 330 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 840 nM