General Information of the Compound
Compound ID
CP0558184
Compound Name
N-cyclopentyl-1-methyltriazolo[4,5-h]quinazolin-6-amine
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Structure
Formula
C14H16N6
Molecular Weight
268.324
Canonical SMILES
Cn1nnc2ccc3c(NC4CCCC4)ncnc3c12
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InChI
InChI=1S/C14H16N6/c1-20-13-11(18-19-20)7-6-10-12(13)15-8-16-14(10)17-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16,17)
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InChIKey
XUMBKWWNZONYBX-UHFFFAOYSA-N
Physicochemical Property
logP
2.266
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 156012231
ChEMBL ID
CHEMBL4638335
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 = 820 nM
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