General Information of the Compound
Compound ID
CP0548403
Compound Name
2-amino-5-(4-benzamidophenoxy)-N-methylbenzamide
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Structure
Formula
C21H19N3O3
Molecular Weight
361.401
Canonical SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccccc3)cc2)ccc1N
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InChI
InChI=1S/C21H19N3O3/c1-23-21(26)18-13-17(11-12-19(18)22)27-16-9-7-15(8-10-16)24-20(25)14-5-3-2-4-6-14/h2-13H,22H2,1H3,(H,23,26)(H,24,25)
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InChIKey
SNQFCZPXRUXUGN-UHFFFAOYSA-N
Physicochemical Property
logP
3.673
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
93.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 155531780
ChEMBL ID
CHEMBL4465925
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 = 6190 nM
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