General Information of the Compound
Compound ID
CP0167464
Compound Name
alpha-sulfone piperidine hydroxamate, 11a
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Structure
Formula
C23H25N3O5S
Molecular Weight
455.536
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCNCC2)C(=O)NO)c2ccccc2n1
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InChI
InChI=1S/C23H25N3O5S/c1-16-14-17(20-4-2-3-5-21(20)25-16)15-31-18-6-8-19(9-7-18)32(29,30)23(22(27)26-28)10-12-24-13-11-23/h2-9,14,24,28H,10-13,15H2,1H3,(H,26,27)
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InChIKey
OVRNSWPIJUFVHN-UHFFFAOYSA-N
Physicochemical Property
logP
2.52352
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
117.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 44143474
ChEMBL ID
CHEMBL495621
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 = 33 nM
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