Bioactive Compound Details
| BioID | bio198621 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1256935 |
| Molecular Formula | C10H11ClN5Na4O13P3 |
| Molecular Weight | 629.56 |
| Molecular Weight (Monoisotopic) | 540.9568 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Chloroadenosine Triphosphate Tetrasodium |
| Smiles | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C10H15ClN5O13P3.4Na/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1 |
| Inchi Key | JGKMWMQAWOVZHJ-ZVQJTLEUSA-J |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.16 |
| Records Key | ['13c', '2-Chloroadenosine triphosphate tetrasodium'] |
| Records Name | ['Phosphoric acid tri-[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester; tri sodium', '2-Chloroadenosine triphosphate tetrasodium'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
