General Information of the Compound
| Compound ID |
CP0394911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N3OS
|
||||||||||||||||||
| Molecular Weight |
361.47
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1C[C@H]2CC[C@@H]1C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N3OS/c1-14-10-23-12-17(21(25)24-11-16-2-4-18(24)8-16)9-20(23)19(22-14)5-3-15-6-7-26-13-15/h6-7,9-10,12-13,16,18H,2,4,8,11H2,1H3/t16-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKGBMWVKYXKDSY-FUHWJXTLSA-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