General Information of the Compound
| Compound ID |
CP0516472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,3-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14F3N3O
|
||||||||||||||||||
| Molecular Weight |
357.335
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14F3N3O/c1-12-10-25-11-14(18(26)23-2)9-17(25)16(24-12)7-6-13-4-3-5-15(8-13)19(20,21)22/h3-5,8-11H,1-2H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLDYPQGKBKYAMY-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