General Information of the Compound
Compound ID
CP0395083
Compound Name
7-(3,5-dichloroanilino)-3-methyl-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C15H13Cl2N5O3S
Molecular Weight
414.274
Canonical SMILES
Cc1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c(cnc12)C(N)=O)S(C)(=O)=O
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InChI
InChI=1S/C15H13Cl2N5O3S/c1-7-13-19-6-11(12(18)23)14(22(13)21-15(7)26(2,24)25)20-10-4-8(16)3-9(17)5-10/h3-6,20H,1-2H3,(H2,18,23)
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InChIKey
XRANLWSKRMTSJB-UHFFFAOYSA-N
Physicochemical Property
logP
2.59052
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
119.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 127038666
ChEMBL ID
CHEMBL3747090
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
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