General Information of the Compound
Compound ID
CP0406778
Compound Name
3-chloro-N-(3-(2-phenylcyclopropanecarboxamido)phenyl)benzamide
    Show/Hide
Structure
Formula
C23H19ClN2O2
Molecular Weight
390.87
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C23H19ClN2O2/c24-17-9-4-8-16(12-17)22(27)25-18-10-5-11-19(13-18)26-23(28)21-14-20(21)15-6-2-1-3-7-15/h1-13,20-21H,14H2,(H,25,27)(H,26,28)
    Show/Hide
InChIKey
IYWORVSHVFWKBP-UHFFFAOYSA-N
Physicochemical Property
logP
5.3345
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 46880235
ChEMBL ID
CHEMBL1082170
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
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS