General Information of the Compound
| Compound ID |
CP0464248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25BrN6O
|
||||||||||||||||||
| Molecular Weight |
433.354
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25BrN6O/c1-6-25(9-10-27-5)18-17-19(22-13(4)21-18)26(24-23-17)16-8-7-14(12(2)3)11-15(16)20/h7-8,11-12H,6,9-10H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLKYYKQLWRKNEO-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