General Information of the Compound
| Compound ID |
CP0378497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]-1,2-oxazol-5-yl]-1,3-dipropyl-7H-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27FN6O5
|
||||||||||||||||||
| Molecular Weight |
510.526
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC2CN(C(=O)C2)c2ccc(F)cc2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27FN6O5/c1-3-9-30-23-21(24(34)31(10-4-2)25(30)35)27-22(28-23)18-12-19(29-37-18)36-14-15-11-20(33)32(13-15)17-7-5-16(26)6-8-17/h5-8,12,15H,3-4,9-11,13-14H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZHQUFOZJXOJJC-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