Bioactive Compound Details
| BioID | bio198067 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL609823 |
| Molecular Formula | C16H26N5O13P3S |
| Molecular Weight | 621.39 |
| Molecular Weight (Monoisotopic) | 621.0461 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Cyclohexylthio)-Adenosinetriphosphate |
| Smiles | Nc1nc(SC2CCCCC2)nc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C16H26N5O13P3S/c17-13-10-14(20-16(19-13)38-8-4-2-1-3-5-8)21(7-18-10)15-12(23)11(22)9(32-15)6-31-36(27,28)34-37(29,30)33-35(24,25)26/h7-9,11-12,15,22-23H,1-6H2,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1 |
| Inchi Key | VEHACLAYFWDDCB-FJFSNTMWSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 0.75 |
| Records Key | ['16 (2-(cyclohexylthio)-ATP)'] |
| Records Name | ['2-(cyclohexylthio)-Adenosinetriphosphate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
