General Information of the Compound
Compound ID
CP0197688
Compound Name
alpha-sulfone piperidine hydroxamate, 11n
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Structure
Formula
C26H31N3O7S2
Molecular Weight
561.682
Canonical SMILES
CC(C)S(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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InChI
InChI=1S/C26H31N3O7S2/c1-18(2)38(34,35)29-14-12-26(13-15-29,25(30)28-31)37(32,33)22-10-8-21(9-11-22)36-17-20-16-19(3)27-24-7-5-4-6-23(20)24/h4-11,16,18,31H,12-15,17H2,1-3H3,(H,28,30)
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InChIKey
JRSOKCXTAIQJPK-UHFFFAOYSA-N
Physicochemical Property
logP
2.97412
Rotatable Bonds
8
Heavy Atom Count
38
Polar Areas
142.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
38

"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: 44143488
ChEMBL ID
CHEMBL496423
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 = 10 nM
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