General Information of the Compound
| Compound ID |
CP0546645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,4-dihydropyrazine-2,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C12H9F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
302.277
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-1-7(2-4-8)6-20-9-5-16-10(18)11(19)17-9/h1-5H,6H2,(H,16,18)(H,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTINPDGDZASLQP-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 | |||||||||||||||||||
| 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: PT06971, D-amino-acid oxidase
Protein ID: PT02547, D-amino-acid oxidase