General Information of the Compound
Compound ID
CP0400841
Compound Name
8-(1H-indazol-6-yl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
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Structure
Formula
C24H17N5O
Molecular Weight
391.434
Canonical SMILES
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccc2cn[nH]c2c1)-c1ccccc1
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InChI
InChI=1S/C24H17N5O/c1-28-23-13-21(15-5-3-2-4-6-15)27-29(23)22-12-17(9-10-19(22)24(28)30)16-7-8-18-14-25-26-20(18)11-16/h2-14H,1H3,(H,25,26)
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InChIKey
QHONKXLBFJJVRB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3965
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
67.98
Hydrogen Bond Donor Count
1
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: 90643975
ChEMBL ID
CHEMBL3288678
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