General Information of the Compound
Compound ID
CP0363043
Compound Name
7,8-dimethoxy-1,3-dimethylpyrazolo[3,4-c]cinnoline
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Structure
Formula
C13H14N4O2
Molecular Weight
258.281
Canonical SMILES
COc1cc2nnc3n(C)nc(C)c3c2cc1OC
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InChI
InChI=1S/C13H14N4O2/c1-7-12-8-5-10(18-3)11(19-4)6-9(8)14-15-13(12)17(2)16-7/h5-6H,1-4H3
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InChIKey
YMXMFBOYVFQPMB-UHFFFAOYSA-N
Physicochemical Property
logP
1.84212
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
62.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 73387863
ChEMBL ID
CHEMBL4585428
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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
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   LI
   LO
   TS
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 171 nM
   TI
   LI
   LO
   TS