General Information of the Compound
Compound ID
CP0547956
Compound Name
3-(6,8-dimethoxy-3-methylpyrazolo[3,4-c]cinnolin-1-yl)benzamide
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Structure
Formula
C19H17N5O3
Molecular Weight
363.377
Canonical SMILES
COc1cc(OC)c2nnc3n(C)nc(-c4cccc(c4)C(N)=O)c3c2c1
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InChI
InChI=1S/C19H17N5O3/c1-24-19-15(16(23-24)10-5-4-6-11(7-10)18(20)25)13-8-12(26-2)9-14(27-3)17(13)21-22-19/h4-9H,1-3H3,(H2,20,25)
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InChIKey
MKSBVDYUKXDGHY-UHFFFAOYSA-N
Physicochemical Property
logP
2.2996
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
105.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 73387960
ChEMBL ID
CHEMBL4468466
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 = 555 nM
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