General Information of the Compound
| Compound ID |
CP0571661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[3-[3-(3-fluorophenyl)prop-2-ynoxy]-1,2-oxazol-5-yl]-1,3-dipropyl-7H-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN5O4
|
||||||||||||||||||
| Molecular Weight |
451.458
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(F)c2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN5O4/c1-3-10-28-21-19(22(30)29(11-4-2)23(28)31)25-20(26-21)17-14-18(27-33-17)32-12-6-8-15-7-5-9-16(24)13-15/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVFWNARFSGFDNT-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