General Information of the Compound
Compound ID
CP0150357
Compound Name
2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)acetamide
    Show/Hide
Structure
Formula
C15H14Cl2N2O3S
Molecular Weight
373.261
Canonical SMILES
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
    Show/Hide
InChI
InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
    Show/Hide
InChIKey
UUYQFOSWDVZCAB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3981
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 1364364
ChEMBL ID
CHEMBL1451902
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS