General Information of the Compound
Compound ID
CP0437938
Compound Name
4-(2,2-dimethylpropyl)-8,9-dimethylpyrazolo[3,4-h]quinazoline
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Structure
Formula
C16H20N4
Molecular Weight
268.364
Canonical SMILES
Cc1n(C)nc2ccc3c(CC(C)(C)C)ncnc3c12
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InChI
InChI=1S/C16H20N4/c1-10-14-12(19-20(10)5)7-6-11-13(8-16(2,3)4)17-9-18-15(11)14/h6-7,9H,8H2,1-5H3
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InChIKey
NTBROVLZEZVLSV-UHFFFAOYSA-N
Physicochemical Property
logP
3.41352
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
43.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 156022245
ChEMBL ID
CHEMBL4635539
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 467 nM
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