General Information of the Compound
Compound ID
CP0504956
Compound Name
N-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C21H15N3O3
Molecular Weight
357.369
Canonical SMILES
O=C(Nc1ccccc1CN1C(=O)c2ccccc2C1=O)c1ccccn1
    Show/Hide
InChI
InChI=1S/C21H15N3O3/c25-19(18-11-5-6-12-22-18)23-17-10-4-1-7-14(17)13-24-20(26)15-8-2-3-9-16(15)21(24)27/h1-12H,13H2,(H,23,25)
    Show/Hide
InChIKey
XGOOSXFYCRTVGG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1301
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 11233624
SID: 16317510
ChEMBL ID
CHEMBL246518
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 13900 nM
   TI
   LI
   LO
   TS