General Information of the Compound
Compound ID
CP0821110
Compound Name
6-(Cyclohexylcarbonyl)-N-hydroxy-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
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Structure
Formula
C15H20N2O3S
Molecular Weight
308.403
Canonical SMILES
O=C(NO)c1cc2c(s1)CN(C(=O)C1CCCCC1)CC2
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InChI
InChI=1S/C15H20N2O3S/c18-14(16-20)12-8-11-6-7-17(9-13(11)21-12)15(19)10-4-2-1-3-5-10/h8,10,20H,1-7,9H2,(H,16,18)
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InChIKey
OSSSURYMDNZIQS-UHFFFAOYSA-N
Physicochemical Property
logP
2.3321
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 49873200
SID: 104548141
ChEMBL ID
CHEMBL2431918
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM