General Information of the Compound
| Compound ID |
CP0120617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-[(3S)-oxolan-3-yl]-7H-pteridin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN6O2
|
||||||||||||||||||
| Molecular Weight |
422.464
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXPKCEXQOBXOIS-DLBZAZTESA-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