General Information of the Compound
Compound ID
CP0386483
Compound Name
2-(4-chloro-1,3-thiazol-2-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]benzamide
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Structure
Formula
C20H26ClN3OS
Molecular Weight
391.968
Canonical SMILES
CC1(C)CC(CNC(=O)c2ccccc2-c2nc(Cl)cs2)CC(C)(C)N1
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InChI
InChI=1S/C20H26ClN3OS/c1-19(2)9-13(10-20(3,4)24-19)11-22-17(25)14-7-5-6-8-15(14)18-23-16(21)12-26-18/h5-8,12-13,24H,9-11H2,1-4H3,(H,22,25)
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InChIKey
AZLOYNFUMMUBKL-UHFFFAOYSA-N
Physicochemical Property
logP
4.7501
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 46891377
ChEMBL ID
CHEMBL1082342
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 794.33 nM
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