General Information of the Compound
Compound ID
CP0499533
Compound Name
4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C22H16N4O
Molecular Weight
352.397
Canonical SMILES
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccncc1)-c1ccccc1
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InChI
InChI=1S/C22H16N4O/c1-25-21-14-19(16-5-3-2-4-6-16)24-26(21)20-13-17(7-8-18(20)22(25)27)15-9-11-23-12-10-15/h2-14H,1H3
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InChIKey
GPYVWHDCXSHYNA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9152
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
52.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 90643974
ChEMBL ID
CHEMBL3288675
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 = 1770 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 = 509 nM
   TI
   LI
   LO
   TS