General Information of the Compound
Compound ID
CP0442375
Compound Name
6-(8-azaspiro[4.5]decan-8-yl)-N,2-dicyclopropyl-5-methylpyrimidin-4-amine
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Structure
Formula
C20H30N4
Molecular Weight
326.488
Canonical SMILES
Cc1c(NC2CC2)nc(nc1N1CCC2(CCCC2)CC1)C1CC1
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InChI
InChI=1S/C20H30N4/c1-14-17(21-16-6-7-16)22-18(15-4-5-15)23-19(14)24-12-10-20(11-13-24)8-2-3-9-20/h15-16H,2-13H2,1H3,(H,21,22,23)
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InChIKey
MGTADWHLHADAMM-UHFFFAOYSA-N
Physicochemical Property
logP
4.39732
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
41.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 44409654
ChEMBL ID
CHEMBL204353
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: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 158 nM
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