General Information of the Compound
| Compound ID |
CP0553092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClFN5O8P2
|
||||||||||||||||||
| Molecular Weight |
565.819
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClFN5O8P2/c1-10(11-5-3-2-4-6-11)23-16-14-17(25-19(20)24-16)26(8-22-14)18-13(21)15(27)12(34-18)7-33-36(31,32)9-35(28,29)30/h2-6,8,10,12-13,15,18,27H,7,9H2,1H3,(H,31,32)(H,23,24,25)(H2,28,29,30)/t10-,12-,13+,15-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAZKWAAQWCZDTB-IEEAGMDHSA-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