General Information of the Compound
| Compound ID |
CP0372868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,4S)-5-methyl-2,5-diazabicyclo[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 |
C21H20N4OS
|
||||||||||||||||||
| Molecular Weight |
376.485
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4OS/c1-14-9-24-10-16(21(26)25-12-17-8-18(25)11-23(17)2)7-20(24)19(22-14)4-3-15-5-6-27-13-15/h5-7,9-10,13,17-18H,8,11-12H2,1-2H3/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRJYCZRCXQGCOL-ROUUACIJSA-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