General Information of the Compound
Compound ID
CP0562090
Compound Name
N,2-dicyclopropyl-5-methyl-6-(4-methylidenepiperidin-1-yl)pyrimidin-4-amine
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Structure
Formula
C17H24N4
Molecular Weight
284.407
Canonical SMILES
Cc1c(NC2CC2)nc(nc1N1CCC(=C)CC1)C1CC1
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InChI
InChI=1S/C17H24N4/c1-11-7-9-21(10-8-11)17-12(2)15(18-14-5-6-14)19-16(20-17)13-3-4-13/h13-14H,1,3-10H2,2H3,(H,18,19,20)
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InChIKey
AIDPXYQPEWPREA-UHFFFAOYSA-N
Physicochemical Property
logP
3.39312
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
41.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44409754
ChEMBL ID
CHEMBL206480
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 = 79 nM
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