| Compound Info | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| NAs | Base Info | ||||||||||
| ID | Cluster | Name | Target | MolWt | |||||||
|
NAs.002234 | 2 |
|
381.232 | |||||||
| Chemical Representations | |
|---|---|
| InChI | InChI=1S/C11H14F2N5O6P/c12-11(13)25(21,22)23-1-4-6(19)7(20)10(24-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10-11,19-20H,1H2,(H,21,22)(H2,14,15,16)/t4-,6-,7-,10?/m1/s1 |
| InChI Key | NIPHVIZYCOBCMO-VTHZCTBJSA-N |
| SMILES | Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)C(F)F)[C@@H](O)[C@H]1O |
| Molecular Formula | C11H14F2N5O6P |
| Functional Fragments | ||
|---|---|---|
| Base | Ribose | Phosphate |
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Match
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| Calculated Properties | ||
|---|---|---|
| logP | -0.548 | Computed by RDKit |
| Heavy Atom Count | 25 | Computed by RDKit |
| Ring Count | 3 | Computed by RDKit |
| Hydrogen Bond Acceptor Count | 10 | Computed by RDKit |
| Hydrogen Bond Donor Count | 4 | Computed by RDKit |
| Rotatable Bond Count | 5 | Computed by RDKit |
| Topological Polar Surface Area | 165.840 | Computed by RDKit |
| Activity Data | ||||||
|---|---|---|---|---|---|---|
| Target | Activity type | Relation | Value | Unit | Assay | Source |
| Avian myoblastosis virus polyprotein II | IC50 | > | 400.0 | 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 | ||