General Information of the Compound
| Compound ID |
CP0544669
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3-fluorophenyl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18F4N6O
|
||||||||||||||||||
| Molecular Weight |
410.375
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(CCNc2nc(nc3n(C[C@H]4CCCO4)nnc23)C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18F4N6O/c19-12-4-1-3-11(9-12)6-7-23-15-14-16(25-17(24-15)18(20,21)22)28(27-26-14)10-13-5-2-8-29-13/h1,3-4,9,13H,2,5-8,10H2,(H,23,24,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAFUNKJJTSBNKE-CYBMUJFWSA-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