General Information of the Compound
| Compound ID |
CP0015152
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
384.749
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(CCC#N)c(=O)c2cc(Cn3nc(cc3Cl)C(F)(F)F)nn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12ClF3N6O/c1-9-7-23(4-2-3-20)14(26)11-5-10(21-25(9)11)8-24-13(16)6-12(22-24)15(17,18)19/h5-7H,2,4,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZPZLBPJFAJOPA-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 | |||||||||||||||||||
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