General Information of the Compound
| Compound ID |
CP0472447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14N2OS
|
||||||||||||||||||
| Molecular Weight |
318.401
|
||||||||||||||||||
| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)C#C)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14N2OS/c1-2-13-5-3-6-15-14(13)8-9-21-17(15)11-16(20-12-19(21)22)18-7-4-10-23-18/h1,3-7,10-11H,8-9,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAIOFGJWUSFJQH-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5