General Information of the Compound
Compound ID
CP0499524
Compound Name
2-(4-fluorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C24H18FN3O2
Molecular Weight
399.425
Canonical SMILES
COc1ccc(cc1)-c1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
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InChI
InChI=1S/C24H18FN3O2/c1-27-23-14-21(16-3-8-18(25)9-4-16)26-28(23)22-13-17(7-12-20(22)24(27)29)15-5-10-19(30-2)11-6-15/h3-14H,1-2H3
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InChIKey
LDUAWVNHJVSORW-UHFFFAOYSA-N
Physicochemical Property
logP
4.6679
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
48.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 90643967
ChEMBL ID
CHEMBL3288661
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03263, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS