General Information of the Compound
| Compound ID |
CP0544668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5-methylpyrazin-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17F3N8O
|
||||||||||||||||||
| Molecular Weight |
394.361
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(CNc2nc(nc3n(C[C@H]4CCCO4)nnc23)C(F)(F)F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17F3N8O/c1-9-5-21-10(6-20-9)7-22-13-12-14(24-15(23-13)16(17,18)19)27(26-25-12)8-11-3-2-4-28-11/h5-6,11H,2-4,7-8H2,1H3,(H,22,23,24)/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIIJQINWUNGPKL-LLVKDONJSA-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