General Information of the Compound
Compound ID
CP0115111
Compound Name
N-hydroxy-2-[(6-phenoxypyridin-3-yl)sulfonylamino]acetamide
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Structure
Formula
C13H13N3O5S
Molecular Weight
323.33
Canonical SMILES
ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1
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InChI
InChI=1S/C13H13N3O5S/c17-12(16-18)9-15-22(19,20)11-6-7-13(14-8-11)21-10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,16,17)
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InChIKey
BTMSEVQRJBBBAY-UHFFFAOYSA-N
Physicochemical Property
logP
0.6576
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
117.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 71652382
ChEMBL ID
CHEMBL2337697
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 = 5800 nM
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   LI
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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 = 3500 nM
   TI
   LI
   LO
   TS