General Information of the Compound
Compound ID
CP0469398
Compound Name
2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide
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Formula
C22H20N2O5
Molecular Weight
392.411
Canonical SMILES
Oc1ccc(O)c(\C=N\c2ccc(O)c(CC(=O)NOCc3ccccc3)c2)c1
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InChI
InChI=1S/C22H20N2O5/c25-19-7-9-21(27)17(11-19)13-23-18-6-8-20(26)16(10-18)12-22(28)24-29-14-15-4-2-1-3-5-15/h1-11,13,25-27H,12,14H2,(H,24,28)/b23-13+
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InChIKey
NQSXLQDSUVJXKV-YDZHTSKRSA-N
Physicochemical Property
logP
3.3445
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
111.38
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 15376481
ChEMBL ID
CHEMBL352591
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 = 50000 nM
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