General Information of the Compound
| Compound ID |
CP0435258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[but-3-ynoxy(hydroxy)phosphoryl] [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N3O15P3
|
||||||||||||||||||
| Molecular Weight |
641.356
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCCC#C)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N3O15P3/c1-2-3-11-34-39(27,28)37-41(31,32)38-40(29,30)35-13-15-17(24)18(25)19(36-15)23-10-9-16(21-20(23)26)22-33-12-14-7-5-4-6-8-14/h1,4-10,15,17-19,24-25H,3,11-13H2,(H,27,28)(H,29,30)(H,31,32)(H,21,22,26)/t15-,17-,18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTKKGIQRAKNART-NXWXRZEISA-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