General Information of the Compound
| Compound ID |
CP0531516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-9-[(2R,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H11F2N5O3
|
||||||||||||||||||
| Molecular Weight |
287.226
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1CC(F)(F)[C@H](CO)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H11F2N5O3/c11-10(12)1-5(20-4(10)2-18)17-3-14-6-7(17)15-9(13)16-8(6)19/h3-5,18H,1-2H2,(H3,13,15,16,19)/t4-,5+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCAASPACHJUHDN-CRCLSJGQSA-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