General Information of the Compound
Compound ID
CP0468550
Compound Name
3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
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Structure
Formula
C23H17FN4O3S
Molecular Weight
448.479
Canonical SMILES
Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1cccc(F)c1
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InChI
InChI=1S/C23H17FN4O3S/c1-27-22-13-20(16-5-2-6-17(24)10-16)26-28(22)21-12-15(8-9-19(21)23(27)29)14-4-3-7-18(11-14)32(25,30)31/h2-13H,1H3,(H2,25,30,31)
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InChIKey
RWMYZHJFCCCTJF-UHFFFAOYSA-N
Physicochemical Property
logP
3.3067
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
99.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 90643957
ChEMBL ID
CHEMBL3288641
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