General Information of the Compound
Compound ID
CP0167483
Compound Name
alpha-sulfone piperidine hydroxamate, 11g
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Structure
Formula
C28H33N3O7S
Molecular Weight
555.653
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO)c2ccccc2n1
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InChI
InChI=1S/C28H33N3O7S/c1-19-17-20(23-7-5-6-8-24(23)29-19)18-37-21-9-11-22(12-10-21)39(35,36)28(25(32)30-34)13-15-31(16-14-28)26(33)38-27(2,3)4/h5-12,17,34H,13-16,18H2,1-4H3,(H,30,32)
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InChIKey
IBMUIXAPDBZOLE-UHFFFAOYSA-N
Physicochemical Property
logP
4.17102
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
135.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
39

"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: 44143481
SID: 85845795
ChEMBL ID
CHEMBL499313
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 < 1 nM
   TI
   LI
   LO
   TS