General Information of the Compound
Compound ID
CP0390050
Compound Name
N-hydroxy-4-methoxy-3-(2-phenylethylamino)benzamide
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Structure
Formula
C16H18N2O3
Molecular Weight
286.331
Canonical SMILES
COc1ccc(cc1NCCc1ccccc1)C(=O)NO
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InChI
InChI=1S/C16H18N2O3/c1-21-15-8-7-13(16(19)18-20)11-14(15)17-10-9-12-5-3-2-4-6-12/h2-8,11,17,20H,9-10H2,1H3,(H,18,19)
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InChIKey
QLCWJOCVGIBAKM-UHFFFAOYSA-N
Physicochemical Property
logP
2.4688
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
70.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 137645454
ChEMBL ID
CHEMBL4080303
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 = 19100 nM
   TI
   LI
   LO
   TS
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 = 7500 nM
   TI
   LI
   LO
   TS