General Information of the Compound
| Compound ID |
CP0412648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13N3
|
||||||||||||||||||
| Molecular Weight |
283.334
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cccc2c(n1)C#Cc1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13N3/c1-14-13-22-10-4-7-19(22)18(21-14)9-8-16-12-20-11-15-5-2-3-6-17(15)16/h2-7,10-13H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJURQMOPTLHZOE-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