General Information of the Compound
Compound ID
CP0502039
Compound Name
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-tetradecylacetamide
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Structure
Formula
C31H41NO5
Molecular Weight
507.671
Canonical SMILES
CCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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InChI
InChI=1S/C31H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-32-30(35)23-36-25-20-26(33)31-27(34)22-28(37-29(31)21-25)24-17-14-13-15-18-24/h13-15,17-18,20-22,33H,2-12,16,19,23H2,1H3,(H,32,35)
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InChIKey
OEJNEVMDTBUXDF-UHFFFAOYSA-N
Physicochemical Property
logP
7.3617
Rotatable Bonds
17
Heavy Atom Count
37
Polar Areas
88.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
37

"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
CID: 46231820
ChEMBL ID
CHEMBL598520
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 316 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 8000 nM
   TI
   LI
   LO
   TS