General Information of the Compound
Compound ID
CP0493268
Compound Name
3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide
    Show/Hide
Structure
Formula
C20H19Cl2FN2O
Molecular Weight
393.289
Canonical SMILES
CC1CNCC=C1CNC(=O)c1c(F)c(Cl)ccc1-c1cccc(Cl)c1
    Show/Hide
InChI
InChI=1S/C20H19Cl2FN2O/c1-12-10-24-8-7-14(12)11-25-20(26)18-16(5-6-17(22)19(18)23)13-3-2-4-15(21)9-13/h2-7,9,12,24H,8,10-11H2,1H3,(H,25,26)
    Show/Hide
InChIKey
TYUMDAPLVZDIBN-UHFFFAOYSA-N
Physicochemical Property
logP
4.695
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46891077
ChEMBL ID
CHEMBL1083927
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 = 158.49 nM
   TI
   LI
   LO
   TS