General Information of the Compound
Compound ID
CP0502150
Compound Name
ethyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
    Show/Hide
Formula
C16H15NO5
Molecular Weight
301.298
Canonical SMILES
CCOC(=O)c1cc(ccc1O)\N=C\c1cc(O)ccc1O
    Show/Hide
InChI
InChI=1S/C16H15NO5/c1-2-22-16(21)13-8-11(3-5-15(13)20)17-9-10-7-12(18)4-6-14(10)19/h3-9,18-20H,2H2,1H3/b17-9+
    Show/Hide
InChIKey
WXNCETJKYPKTDT-RQZCQDPDSA-N
Physicochemical Property
logP
2.7307
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
99.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
22

"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
SID: 15023376
ChEMBL ID
CHEMBL354521
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)  1
1
IC50 = 50000 nM
   TI
   LI
   LO
   TS