General Information of the Compound
Compound ID
CP0502466
Compound Name
5-[(2,5-Dihydroxy-benzylidene)-amino]-2-hydroxy-benzoic acid
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Formula
C14H11NO5
Molecular Weight
273.244
Canonical SMILES
OC(=O)c1cc(ccc1O)\N=C\c1cc(O)ccc1O
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InChI
InChI=1S/C14H11NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-7,16-18H,(H,19,20)/b15-7+
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InChIKey
XGAACHAKZZGIBP-VIZOYTHASA-N
Physicochemical Property
logP
2.2522
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
110.35
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
20

"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
SID: 15269756
ChEMBL ID
CHEMBL316764
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 = 5000 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS