General Information of the Compound
Compound ID
CP0432035
Compound Name
6,8-dimethoxy-3-methyl-1-(2-methylpropyl)pyrazolo[3,4-c]cinnoline
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Structure
Formula
C16H20N4O2
Molecular Weight
300.362
Canonical SMILES
COc1cc(OC)c2nnc3n(C)nc(CC(C)C)c3c2c1
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InChI
InChI=1S/C16H20N4O2/c1-9(2)6-12-14-11-7-10(21-4)8-13(22-5)15(11)17-18-16(14)20(3)19-12/h7-9H,6H2,1-5H3
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InChIKey
DAIGQBNCMVUNIQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7322
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
62.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 73387957
ChEMBL ID
CHEMBL4533380
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: 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 = 1800 nM
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