General Information of the Compound
Compound ID
CP0499523
Compound Name
4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C23H18N4O
Molecular Weight
366.424
Canonical SMILES
Cc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccnc1
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InChI
InChI=1S/C23H18N4O/c1-15-5-3-6-17(11-15)20-13-22-26(2)23(28)19-9-8-16(12-21(19)27(22)25-20)18-7-4-10-24-14-18/h3-14H,1-2H3
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InChIKey
FCRIVGSDJJARHL-UHFFFAOYSA-N
Physicochemical Property
logP
4.22362
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
52.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 90643963
ChEMBL ID
CHEMBL3288653
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 = 1790 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 = 530 nM
   TI
   LI
   LO
   TS