General Information of the Compound
Compound ID
CP0946839
Compound Name
3-(((1-Methylpiperidin-3-yl)oxy)methyl)pyridine
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Structure
Formula
C12H18N2O
Molecular Weight
206.289
Canonical SMILES
CN1CCCC(OCc2cccnc2)C1
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InChI
InChI=1S/C12H18N2O/c1-14-7-3-5-12(9-14)15-10-11-4-2-6-13-8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3
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InChIKey
ICELNYAJAJVNKF-UHFFFAOYSA-N
Physicochemical Property
logP
1.6924
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 137639541
ChEMBL ID
CHEMBL4070061
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 46000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 42000 nM
   TI
   LI
   LO
   TS