General Information of the Compound
Compound ID
CP0175902
Compound Name
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
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Structure
Formula
C20H13FN2O4
Molecular Weight
364.332
Canonical SMILES
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)
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InChIKey
KRAVUTURLMCULG-UHFFFAOYSA-N
Physicochemical Property
logP
3.78002
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
79.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 122196123
ChEMBL ID
CHEMBL3634445
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 = 12.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 13 nM
2 IC50 = 12.59 nM