General Information of the Compound
Compound ID
CP0417967
Compound Name
3-[2-(3-methoxyphenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
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Structure
Formula
C24H20N4O4S
Molecular Weight
460.515
Canonical SMILES
COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccc(c1)S(N)(=O)=O
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InChI
InChI=1S/C24H20N4O4S/c1-27-23-14-21(17-6-3-7-18(11-17)32-2)26-28(23)22-13-16(9-10-20(22)24(27)29)15-5-4-8-19(12-15)33(25,30)31/h3-14H,1-2H3,(H2,25,30,31)
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InChIKey
PFSOOGFHQCJAQO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1762
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
108.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 90643959
ChEMBL ID
CHEMBL3288646
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 = 1390 nM
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   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 = 696 nM
   TI
   LI
   LO
   TS