| Compound Info | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| NAs | Base Info | ||||||||||
| ID | Cluster | Name | Target | MolWt | |||||||
|
NAs.005146 | 0 |
|
338.203 | |||||||
| Chemical Representations | |
|---|---|
| InChI | InChI=1S/C11H13F2N2O6P/c1-6-4-15(11(17)14-9(6)16)8-3-2-7(21-8)5-20-22(18,19)10(12)13/h2-4,7-8,10H,5H2,1H3,(H,18,19)(H,14,16,17) |
| InChI Key | SYTJPCKJVFAMQN-UHFFFAOYSA-N |
| SMILES | Cc1cn(C2C=CC(COP(=O)(O)C(F)F)O2)c(=O)[nH]c1=O |
| Molecular Formula | C11H13F2N2O6P |
| Functional Fragments | ||
|---|---|---|
| Base | Ribose | Phosphate |
Match
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Match
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| Calculated Properties | ||
|---|---|---|
| logP | 0.723 | Computed by RDKit |
| Heavy Atom Count | 22 | Computed by RDKit |
| Ring Count | 2 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 6 | Computed by RDKit |
| Hydrogen Bond Donor Count | 2 | Computed by RDKit |
| Rotatable Bond Count | 5 | Computed by RDKit |
| Topological Polar Surface Area | 110.620 | Computed by RDKit |
| Activity Data | ||||||
|---|---|---|---|---|---|---|
| Target | Activity type | Relation | Value | Unit | Assay | Source |
| Avian myoblastosis virus polyprotein II | IC50 | = | 300.0 | ug.mL-1 | Inhibitor of avian myeloblastosis virus AMV reverse transcriptase | CHEMBL1126397 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | ug.mL-1 | The compound were evaluated as inhibitor of recombinant HIV-l reverse transcriptase; Not tested | CHEMBL1126397 | ||