General Information of the Compound
| Compound ID |
CP0701989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Methyl-N-[3-[[(2,2,3,3,3-pentafluoropropyl)amino]methyl]-5-isothiazolyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClF5N8S
|
||||||||||||||||||
| Molecular Weight |
494.881
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCC(F)(F)C(F)(F)F)ns2)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15F5N8S.ClH/c1-9-7-30-12(10-3-25-26-4-10)6-24-15(30)14(27-9)28-13-2-11(29-31-13)5-23-8-16(18,19)17(20,21)22;/h2-4,6-7,23H,5,8H2,1H3,(H,25,26)(H,27,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUKDOTPUNPORPU-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