General Information of the Compound
Compound ID
CP0698423
Compound Name
2-(biphenylcarbonyl)-N-hydroxy-2,3,4,5-tetrahydro-1H-benzo[c]azepine-7-carboxamide
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Structure
Formula
C24H22N2O3
Molecular Weight
386.451
Canonical SMILES
O=C(NO)c1ccc2c(c1)CCCN(C(=O)c1ccc(-c3ccccc3)cc1)C2
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InChI
InChI=1S/C24H22N2O3/c27-23(25-29)21-12-13-22-16-26(14-4-7-20(22)15-21)24(28)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,15,29H,4,7,14,16H2,(H,25,27)
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InChIKey
RCFCAPBMLYJPNJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0612
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 58147221
ChEMBL ID
CHEMBL2431915
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 = 3090 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 120 nM