General Information of the Compound
Compound ID
CP0380113
Compound Name
ethyl 6-fluoro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylate
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Structure
Formula
C20H16FNO6
Molecular Weight
385.347
Canonical SMILES
CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1
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InChI
InChI=1S/C20H16FNO6/c1-3-27-20(25)17-10-16(23)14-8-12(21)9-15(18(14)28-17)22-19(24)11-4-6-13(26-2)7-5-11/h4-10H,3H2,1-2H3,(H,22,24)
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InChIKey
RZJVSJYNTZDPDF-UHFFFAOYSA-N
Physicochemical Property
logP
3.3697
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
94.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 71734940
ChEMBL ID
CHEMBL2392163
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 112 nM
   TI
   LI
   LO
   TS
2
Ki = 198 nM
   TI
   LI
   LO
   TS