General Information of the Compound
| Compound ID |
CP0502327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(difluoromethyl)-5-hexyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H16F2N2O3
|
||||||||||||||||||
| Molecular Weight |
298.289
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16F2N2O3/c1-2-3-4-5-6-8-7-9(19)21-14-10(8)13(20)17-12(18-14)11(15)16/h7,11H,2-6H2,1H3,(H,17,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSTFVIHLSZZNCD-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