General Information of the Compound
| Compound ID |
CP0458661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-hydroxypyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14ClN3O4
|
||||||||||||||||||
| Molecular Weight |
407.813
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccnc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14ClN3O4/c22-13-7-8-16(24-19(27)18-17(26)6-3-9-23-18)12(10-13)11-25-20(28)14-4-1-2-5-15(14)21(25)29/h1-10,26H,11H2,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIKGPUMGMDFOOC-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT01247, Metabotropic glutamate receptor 5