General Information of the Compound
Compound ID
CP0683242
Compound Name
N-(2-fluoro-4-(5-methyl-1,3-dioxoisoindolin-2-yl)phenyl)-3-methylfuran-2-carboxamide
    Show/Hide
Structure
Formula
C21H15FN2O4
Molecular Weight
378.359
Canonical SMILES
Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3occc3C)c(F)c1)C2=O
    Show/Hide
InChI
InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)
    Show/Hide
InChIKey
OFLFGTPTGVETJG-UHFFFAOYSA-N
Physicochemical Property
logP
4.08844
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
79.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127026165
ChEMBL ID
CHEMBL3758746
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
EC50 = 25.7 nM
   TI
   LI
   LO
   TS