General Information of the Compound
| Compound ID |
CP0444689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[(1S,6R,8R,9R,10R,15R,17R)-17-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H22FN9O11P2
|
||||||||||||||||||
| Molecular Weight |
645.394
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@H]1C[C@@H]2OP(O)(=O)OC[C@H]3O[C@H]([C@H](F)[C@@H]3OP(O)(=O)OC[C@H]2O1)n1cnc2c(O)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22FN9O11P2/c21-12-15-10(39-20(12)30-7-28-14-18(30)25-5-26-19(14)31)3-37-42(32,33)40-8-1-11(38-9(8)2-36-43(34,35)41-15)29-6-27-13-16(22)23-4-24-17(13)29/h4-12,15,20H,1-3H2,(H,32,33)(H,34,35)(H2,22,23,24)(H,25,26,31)/t8-,9+,10+,11+,12+,15+,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUVCLYQLZVZISM-JMMIKBGYSA-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 | |||||||||||||||||||
| 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
Protein ID: PT03644, Stimulator of interferon genes protein
Protein ID: PT05006, Stimulator of interferon genes protein