General Information of the Compound
Compound ID
CP0403471
Compound Name
2-(benzenesulfonyl)-7-(3,5-dichloroanilino)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
    Show/Hide
Structure
Formula
C20H15Cl2N5O3S
Molecular Weight
476.345
Canonical SMILES
Cc1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc12)C(N)=O)S(=O)(=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H15Cl2N5O3S/c1-11-18-24-10-16(17(23)28)19(25-14-8-12(21)7-13(22)9-14)27(18)26-20(11)31(29,30)15-5-3-2-4-6-15/h2-10,25H,1H3,(H2,23,28)
    Show/Hide
InChIKey
LQVMNZAYLCGDDD-UHFFFAOYSA-N
Physicochemical Property
logP
4.01982
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
119.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127039006
ChEMBL ID
CHEMBL3747325
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS