General Information of the Compound
| Compound ID |
CP0579711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-yl)propan-2-yl]amino}pyrimidin-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N6O2
|
||||||||||||||||||
| Molecular Weight |
382.468
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJNRTFNIQNDYTE-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 | |||||||||||||||||||
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
Protein ID: PT07281, Biotinidase
Protein ID: PT04789, Pantetheinase