General Information of the Compound
Compound ID
CP0145050
Compound Name
alpha-sulfone piperidine hydroxamate, 11j
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Structure
Formula
C24H27N3O5S
Molecular Weight
469.563
Canonical SMILES
CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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InChI
InChI=1S/C24H27N3O5S/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-32-19-7-9-20(10-8-19)33(30,31)24(23(28)26-29)11-13-27(2)14-12-24/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)
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InChIKey
BWCDPDUCUGVEMN-UHFFFAOYSA-N
Physicochemical Property
logP
2.86572
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
108.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 44143484
ChEMBL ID
CHEMBL495795
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 = 11 nM
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