General Information of the Compound
| Compound ID |
CP0548593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-Fluoro-benzyl)-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN6O6
|
||||||||||||||||||
| Molecular Weight |
488.476
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COC(=O)NCc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN6O6/c23-13-3-1-12(2-4-13)7-24-22(32)34-9-15-17(30)18(31)21(35-15)29-11-27-16-19(25-10-26-20(16)29)28-14-5-6-33-8-14/h1-4,10-11,14-15,17-18,21,30-31H,5-9H2,(H,24,32)(H,25,26,28)/t14?,15-,17-,18-,21?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTIPLRNONIWJGH-RXHHNXKZSA-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