General Information of the Compound
Compound ID
CP0687899
Compound Name
N-Hydroxy-2-pivaloyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine-7-carboxamide
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Structure
Formula
C16H22N2O3
Molecular Weight
290.363
Canonical SMILES
CC(C)(C)C(=O)N1CCCc2cc(C(=O)NO)ccc2C1
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InChI
InChI=1S/C16H22N2O3/c1-16(2,3)15(20)18-8-4-5-11-9-12(14(19)17-21)6-7-13(11)10-18/h6-7,9,21H,4-5,8,10H2,1-3H3,(H,17,19)
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InChIKey
PZXXBUHLQGFGAZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1265
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 58147291
ChEMBL ID
CHEMBL2431913
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 = 3680 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 490 nM