General Information of the Compound
Compound ID
CP0294907
Compound Name
alpha-sulfone piperidine hydroxamate, 1e
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Structure
Formula
C23H24Cl2N2O5S
Molecular Weight
511.427
Canonical SMILES
CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
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InChI
InChI=1S/C23H24Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,10-14,16H2,1H3,(H,26,28)
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InChIKey
MVCDTECIYPRJTL-UHFFFAOYSA-N
Physicochemical Property
logP
3.7094
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 9914326
SID: 14884773
ChEMBL ID
CHEMBL496618
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 = 149 nM
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