General Information of the Compound
| Compound ID |
CP0401225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-bromo-4-(trifluoromethoxy)phenyl]-N,N-bis(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20BrF3N6O3
|
||||||||||||||||||
| Molecular Weight |
505.295
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(OC(F)(F)F)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20BrF3N6O3/c1-11-23-16(27(6-8-29-2)7-9-30-3)15-17(24-11)28(26-25-15)14-5-4-12(10-13(14)19)31-18(20,21)22/h4-5,10H,6-9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXKYTUQRCLEMPA-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