General Information of the Compound
| Compound ID |
CP0495062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-propoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24BrN5O
|
||||||||||||||||||
| Molecular Weight |
418.339
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24BrN5O/c1-6-14(7-2)26-19-17-18(21-12(5)22-19)25(24-23-17)16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTRPIHDUSOXKLC-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