General Information of the Compound
Compound ID
CP0500253
Compound Name
3-chloro-N-(3-(cyclobutanecarboxamido)phenyl)benzamide
    Show/Hide
Structure
Formula
C18H17ClN2O2
Molecular Weight
328.799
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCC2)c1
    Show/Hide
InChI
InChI=1S/C18H17ClN2O2/c19-14-7-2-6-13(10-14)18(23)21-16-9-3-8-15(11-16)20-17(22)12-4-1-5-12/h2-3,6-12H,1,4-5H2,(H,20,22)(H,21,23)
    Show/Hide
InChIKey
USMQWRRKHLRXFJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3309
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 46879469
ChEMBL ID
CHEMBL1081894
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 = 5270 nM
   TI
   LI
   LO
   TS