General Information of the Compound
Compound ID
CP0395601
Compound Name
6-fluoro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
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Structure
Formula
C18H12FNO6
Molecular Weight
357.293
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1cc(F)cc2c1oc(cc2=O)C(O)=O
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InChI
InChI=1S/C18H12FNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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InChIKey
AUJZEJXAHZISEO-UHFFFAOYSA-N
Physicochemical Property
logP
2.8912
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
105.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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
CID: 71733651
ChEMBL ID
CHEMBL2392162
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: PT00624, G protein-coupled receptor GPR35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1760 nM
   TI
   LI
   LO
   TS
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)  3
1
EC50 = 112 nM
   TI
   LI
   LO
   TS
2
EC50 = 143 nM
   TI
   LI
   LO
   TS
3
Ki = 25.4 nM
   TI
   LI
   LO
   TS