General Information of the Compound
Compound ID
CP0537467
Compound Name
2-Hydroxy-5-[(4-hydroxy-benzylidene)-amino]-benzoic acid methyl ester
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Formula
C15H13NO4
Molecular Weight
271.272
Canonical SMILES
COC(=O)c1cc(ccc1O)\N=C\c1ccc(O)cc1
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InChI
InChI=1S/C15H13NO4/c1-20-15(19)13-8-11(4-7-14(13)18)16-9-10-2-5-12(17)6-3-10/h2-9,17-18H,1H3/b16-9+
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InChIKey
YUSUDOLPKIGXMY-CXUHLZMHSA-N
Physicochemical Property
logP
2.635
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
79.12
Hydrogen Bond Donor Count
2
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: 15071012
ChEMBL ID
CHEMBL130117
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 > 10000 nM
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