General Information of the Compound
Compound ID
CP0414878
Compound Name
ethyl 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]acetate
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Formula
C17H17NO5
Molecular Weight
315.325
Canonical SMILES
CCOC(=O)Cc1cc(ccc1O)\N=C\c1cc(O)ccc1O
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InChI
InChI=1S/C17H17NO5/c1-2-23-17(22)9-11-7-13(3-5-15(11)20)18-10-12-8-14(19)4-6-16(12)21/h3-8,10,19-21H,2,9H2,1H3/b18-10+
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InChIKey
GBRVPNPUPMWSLK-VCHYOVAHSA-N
Physicochemical Property
logP
2.6596
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
99.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 15322480
ChEMBL ID
CHEMBL168425
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 = 100000 nM
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