General Information of the Compound
Compound ID
CP0864082
Compound Name
2-(cycloheptanecarbonyl)-N-hydroxy-2,3,4,5-tetrahydro-1H-benzo[c]azepine-7-carboxamide
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Structure
Formula
C19H26N2O3
Molecular Weight
330.428
Canonical SMILES
O=C(NO)c1ccc2c(c1)CCCN(C(=O)C1CCCCCC1)C2
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InChI
InChI=1S/C19H26N2O3/c22-18(20-24)16-9-10-17-13-21(11-5-8-15(17)12-16)19(23)14-6-3-1-2-4-7-14/h9-10,12,14,24H,1-8,11,13H2,(H,20,22)
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InChIKey
NZABIXCLMDZTQX-UHFFFAOYSA-N
Physicochemical Property
logP
3.0508
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 58147401
ChEMBL ID
CHEMBL2431914
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 = 2900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 340 nM