General Information of the Compound
Compound ID
CP0393924
Compound Name
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
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Structure
Formula
C16H22F2N4
Molecular Weight
308.376
Canonical SMILES
Cc1c(NC2CC2)nc(nc1N1CCC(F)(F)CC1)C1CC1
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InChI
InChI=1S/C16H22F2N4/c1-10-13(19-12-4-5-12)20-14(11-2-3-11)21-15(10)22-8-6-16(17,18)7-9-22/h11-12H,2-9H2,1H3,(H,19,20,21)
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InChIKey
FLWJLPFBCQASMQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.47222
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
41.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44409463
ChEMBL ID
CHEMBL381752
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 = 50 nM
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