General Information of the Compound
| Compound ID |
CP0560801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(benzylamino)-2-(2-phenylethyl)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN5O8P2
|
||||||||||||||||||
| Molecular Weight |
621.499
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(NCc3ccccc3)nc(CCc3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN5O8P2/c27-21-23(33)19(14-39-42(37,38)16-41(34,35)36)40-26(21)32-15-29-22-24(28-13-18-9-5-2-6-10-18)30-20(31-25(22)32)12-11-17-7-3-1-4-8-17/h1-10,15,19,21,23,26,33H,11-14,16H2,(H,37,38)(H,28,30,31)(H2,34,35,36)/t19-,21+,23-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRVFCNLSLUAMKT-YDOBTQPPSA-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