General Information of the Compound
| Compound ID |
CP0385775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13BrN2OS
|
||||||||||||||||||
| Molecular Weight |
373.275
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13BrN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVMIPZSIWADRIE-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