General Information of the Compound
Compound ID
CP0502106
Compound Name
2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-[(2-methylpropan-2-yl)oxy]acetamide
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Formula
C19H22N2O5
Molecular Weight
358.394
Canonical SMILES
CC(C)(C)ONC(=O)Cc1cc(ccc1O)\N=C\c1cc(O)ccc1O
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InChI
InChI=1S/C19H22N2O5/c1-19(2,3)26-21-18(25)10-12-8-14(4-6-16(12)23)20-11-13-9-15(22)5-7-17(13)24/h4-9,11,22-24H,10H2,1-3H3,(H,21,25)/b20-11+
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InChIKey
LCVKKKFECGWBDT-RGVLZGJSSA-N
Physicochemical Property
logP
2.9428
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
111.38
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 15423430
ChEMBL ID
CHEMBL422899
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 = 31000 nM
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