General Information of the Compound
Compound ID
CP0510585
Compound Name
4-acetyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C23H16N4O2
Molecular Weight
380.407
Canonical SMILES
CC(=O)n1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
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InChI
InChI=1S/C23H16N4O2/c1-15(28)26-22-13-20(16-6-3-2-4-7-16)25-27(22)21-12-17(9-10-19(21)23(26)29)18-8-5-11-24-14-18/h2-14H,1H3
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InChIKey
LRNOZFWNJPQHLT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0383
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
69.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 90643972
ChEMBL ID
CHEMBL3288673
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