General Information of the Compound
Compound ID
CP0487079
Compound Name
4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
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Formula
C30H24N2O4
Molecular Weight
476.532
Canonical SMILES
ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
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InChI
InChI=1S/C30H24N2O4/c33-29(31-35)24-17-15-22(16-18-24)20-36-28-27(23-11-5-2-6-12-23)25-13-7-8-14-26(25)32(30(28)34)19-21-9-3-1-4-10-21/h1-18,35H,19-20H2,(H,31,33)
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InChIKey
FUDXGYIFEIWZSI-UHFFFAOYSA-N
Physicochemical Property
logP
5.4148
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
80.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"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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ChEMBL ID
CHEMBL4790834
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 176 nM
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