General Information of the Compound
Compound ID
CP0128762
Compound Name
alpha-sulfone piperidine hydroxamate, 11b
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Structure
Formula
C24H25N3O6S
Molecular Weight
483.546
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C=O)C(=O)NO)c2ccccc2n1
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InChI
InChI=1S/C24H25N3O6S/c1-17-14-18(21-4-2-3-5-22(21)25-17)15-33-19-6-8-20(9-7-19)34(31,32)24(23(29)26-30)10-12-27(16-28)13-11-24/h2-9,14,16,30H,10-13,15H2,1H3,(H,26,29)
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InChIKey
DVAPUVGZYOTZOY-UHFFFAOYSA-N
Physicochemical Property
logP
2.39232
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
125.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 44143476
ChEMBL ID
CHEMBL495831
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2 nM
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