General Information of the Compound
| Compound ID |
CP0543176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-cyclohexylethyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18F2N2O3
|
||||||||||||||||||
| Molecular Weight |
324.327
|
||||||||||||||||||
| Canonical SMILES |
FC(F)c1nc2oc(=O)cc(CCC3CCCCC3)c2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18F2N2O3/c17-13(18)14-19-15(22)12-10(8-11(21)23-16(12)20-14)7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,19,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRVNEYKRNXJDLY-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