General Information of the Compound
Compound ID
CP0481862
Compound Name
7-(3-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
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Structure
Formula
C20H16N2O3S
Molecular Weight
364.426
Canonical SMILES
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(OC)c1
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InChI
InChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3
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InChIKey
WTQJVGRBYHDLPD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1314
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
53.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 78322065
ChEMBL ID
CHEMBL3330827
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
CL000447 Chem-3 Mus musculus (Mouse)  1
1
IC50 = 257 nM
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