General Information of the Compound
Compound ID
CP0433547
Compound Name
N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
    Show/Hide
Structure
Formula
C15H11N5O2
Molecular Weight
293.286
Canonical SMILES
O=C(Nc1cncc(Oc2cncnc2)n1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H11N5O2/c21-15(11-4-2-1-3-5-11)20-13-8-16-9-14(19-13)22-12-6-17-10-18-7-12/h1-10H,(H,19,20,21)
    Show/Hide
InChIKey
ZFCGFCUBAGCZNS-UHFFFAOYSA-N
Physicochemical Property
logP
2.3112
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
89.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 118707791
ChEMBL ID
CHEMBL3314812
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 > 10000 nM
   TI
   LI
   LO
   TS