General Information of the Compound
| Compound ID |
CP0549634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(oxan-2-ylmethyl)-5-pyridin-3-yltriazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N7O
|
||||||||||||||||||
| Molecular Weight |
311.349
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2n(CC3CCCCO3)nnc12)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N7O/c16-13-12-15(19-14(18-13)10-4-3-6-17-8-10)22(21-20-12)9-11-5-1-2-7-23-11/h3-4,6,8,11H,1-2,5,7,9H2,(H2,16,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNQDYXWMZBRZTK-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