General Information of the Compound
Compound ID
CP0538012
Compound Name
7,8-dimethoxy-1-methyl-3H-pyrazolo[3,4-c]cinnoline
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Structure
Formula
C12H12N4O2
Molecular Weight
244.254
Canonical SMILES
COc1cc2nnc3[nH]nc(C)c3c2cc1OC
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InChI
InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)
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InChIKey
NOAZBIGPIKIKDQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.83172
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
72.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 6413369
ChEMBL ID
CHEMBL4534373
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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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 = 84 nM
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   LI
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   TS