General Information of the Compound
| Compound ID |
CP0516474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(2,4-difluorophenyl)ethynyl]-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H9F5N2
|
||||||||||||||||||
| Molecular Weight |
336.263
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccc(F)cc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H9F5N2/c1-10-8-24-9-12(17(20,21)22)6-16(24)15(23-10)5-3-11-2-4-13(18)7-14(11)19/h2,4,6-9H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMBMNERZWLKGRG-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