General Information of the Compound
| Compound ID |
CP0053384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F3N3O
|
||||||||||||||||||
| Molecular Weight |
409.411
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTMGYWMZJBHXBD-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: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3