General Information of the Compound
Compound ID
CP0430607
Compound Name
2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]acetic acid
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Formula
C15H13NO5
Molecular Weight
287.271
Canonical SMILES
OC(=O)Cc1cc(ccc1O)\N=C\c1cc(O)ccc1O
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InChI
InChI=1S/C15H13NO5/c17-12-2-4-14(19)10(6-12)8-16-11-1-3-13(18)9(5-11)7-15(20)21/h1-6,8,17-19H,7H2,(H,20,21)/b16-8+
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InChIKey
HALDKWJFVXYDPX-LZYBPNLTSA-N
Physicochemical Property
logP
2.1811
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
110.35
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
SID: 14948547
ChEMBL ID
CHEMBL171000
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 = 35000 nM
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