General Information of the Compound
| Compound ID |
CP0433166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H11F3N2O2
|
||||||||||||||||||
| Molecular Weight |
344.292
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(O)=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H11F3N2O2/c1-11-9-23-10-14(18(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-13(7-12)17(24)25/h2-4,7-10H,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXVDYKREFBFBOW-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