General Information of the Compound
Compound ID
CP0552853
Compound Name
N-hydroxy-4-[(3-methoxy-2-oxo-4-phenylquinolin-1-yl)methyl]benzamide
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Formula
C24H20N2O4
Molecular Weight
400.434
Canonical SMILES
COc1c(-c2ccccc2)c2ccccc2n(Cc2ccc(cc2)C(=O)NO)c1=O
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InChI
InChI=1S/C24H20N2O4/c1-30-22-21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)26(24(22)28)15-16-11-13-18(14-12-16)23(27)25-29/h2-14,29H,15H2,1H3,(H,25,27)
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InChIKey
BFDZRCPILIJRMN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8444
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
80.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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
CHEMBL4777726
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4500 nM
   TI
   LI
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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 = 61.6 nM
   TI
   LI
   LO
   TS