General Information of the Compound
Compound ID
CP0218336
Compound Name
N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]propanamide
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Structure
Formula
C15H16N2O5S
Molecular Weight
336.369
Canonical SMILES
ONC(=O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C15H16N2O5S/c18-15(17-19)10-11-16-23(20,21)14-8-6-13(7-9-14)22-12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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InChIKey
UGRPRGWEEBXORM-UHFFFAOYSA-N
Physicochemical Property
logP
1.6527
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
104.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 54352406
ChEMBL ID
CHEMBL2337696
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 = 2100 nM
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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 = 1410 nM
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   LI
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