General Information of the Compound
| Compound ID |
CP0405054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(2-fluorophenyl)ethynyl]-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10F4N2
|
||||||||||||||||||
| Molecular Weight |
318.273
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10F4N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)7-6-12-4-2-3-5-14(12)18/h2-5,8-10H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DORVVOYVWWWLAW-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