General Information of the Compound
Compound ID
CP0417876
Compound Name
2-(4-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C18H14FN3O
Molecular Weight
307.328
Canonical SMILES
Cc1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
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InChI
InChI=1S/C18H14FN3O/c1-11-3-8-14-16(9-11)22-17(21(2)18(14)23)10-15(20-22)12-4-6-13(19)7-5-12/h3-10H,1-2H3
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InChIKey
ZCWVETYKZUMDEG-UHFFFAOYSA-N
Physicochemical Property
logP
3.30072
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
39.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 90643969
ChEMBL ID
CHEMBL3288663
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