General Information of the Compound
Compound ID
CP0416483
Compound Name
N-cyclopentyl-8,9-dimethylpyrazolo[3,4-h]quinazolin-4-amine
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Structure
Formula
C16H19N5
Molecular Weight
281.363
Canonical SMILES
Cc1n(C)nc2ccc3c(NC4CCCC4)ncnc3c12
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InChI
InChI=1S/C16H19N5/c1-10-14-13(20-21(10)2)8-7-12-15(14)17-9-18-16(12)19-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,17,18,19)
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InChIKey
DURJBTOULAZRPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.17942
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 156020885
ChEMBL ID
CHEMBL4649056
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 = 848 nM
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