Bioactive Compound Details
| BioID | bio198254 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL602453 |
| Molecular Formula | C11H16N2O11P2 |
| Molecular Weight | 414.2 |
| Molecular Weight (Monoisotopic) | 414.0229 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | (S)-Methanocarba-2'-deoxy-UDP |
| Smiles | O=c1ccn([C@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1 |
| Inchi | InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11+/m0/s1 |
| Inchi Key | JHFKAICFACMATE-IXERTSGWSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.23 |
| Records Key | [15, (S)-Methanocarba-2'-deoxy-UDP"]" |
| Records Name | ['((1S,2R,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxybicyclo[3.1.0]hexan-2-yl)methyl trihydrogen diphosphate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
