General Information of the Compound
| Compound ID |
CP0751381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(3-Fluoro-1-azetidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F4N8O2S
|
||||||||||||||||||
| Molecular Weight |
498.466
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CC(F)C3)ns2)n1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17FN8S.C2HF3O2/c1-10-6-26-14(11-3-20-21-4-11)5-19-17(26)16(22-10)23-15-2-13(24-27-15)9-25-7-12(18)8-25;3-2(4,5)1(6)7/h2-6,12H,7-9H2,1H3,(H,20,21)(H,22,23);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQCUVFFLJGJLSK-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