General Information of the Compound
Compound ID
CP0384839
Compound Name
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
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Structure
Formula
C20H12ClFN2O4
Molecular Weight
398.777
Canonical SMILES
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
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InChI
InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
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InChIKey
HHRZBUWNLICHOO-UHFFFAOYSA-N
Physicochemical Property
logP
4.43342
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).

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PubChem ID
CID: 122193177
ChEMBL ID
CHEMBL3628113
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 = 31.8 nM
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