General Information of the Compound
Compound ID
CP0381019
Compound Name
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide
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Structure
Formula
C15H16N2O5
Molecular Weight
304.302
Canonical SMILES
CONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
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InChI
InChI=1S/C15H16N2O5/c1-22-17-15(21)12-7-10(2-4-14(12)20)16-8-9-6-11(18)3-5-13(9)19/h2-7,16,18-20H,8H2,1H3,(H,17,21)
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InChIKey
ZQPKEZMNIDYNIY-UHFFFAOYSA-N
Physicochemical Property
logP
1.7067
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
111.05
Hydrogen Bond Donor Count
5
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).

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PubChem ID
CID: 10447743
SID: 15468872
ChEMBL ID
CHEMBL169657
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 = 300 nM
   TI
   LI
   LO
   TS
2
IC50 = 20000 nM
   TI
   LI
   LO
   TS