General Information of the Compound
Compound ID
CP0406319
Compound Name
5-[(2,5-dihydroxyphenyl)methylamino]-N,2-dihydroxybenzamide
    Show/Hide
Structure
Formula
C14H14N2O5
Molecular Weight
290.275
Canonical SMILES
ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
    Show/Hide
InChI
InChI=1S/C14H14N2O5/c17-10-2-4-12(18)8(5-10)7-15-9-1-3-13(19)11(6-9)14(20)16-21/h1-6,15,17-19,21H,7H2,(H,16,20)
    Show/Hide
InChIKey
CVLIKWREJQZPKH-UHFFFAOYSA-N
Physicochemical Property
logP
1.5345
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
122.05
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10424297
SID: 15443192
ChEMBL ID
CHEMBL172449
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000520 39ER22 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
2
IC50 = 40000 nM
   TI
   LI
   LO
   TS