| CAS ID: | 544417-40-5 |
| Molecular Formula: | C25H18ClN5O2S2 |
| Molecular Weight: | 520 g/mol |
| Monoisotopic Mass: | 519.059 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | BAY 68-4986 | BAY-684986 | Capadenoson |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) | See All |
| InChI Key: | CITWCLNVRIKQAF-UHFFFAOYSA-N | |
| Smiles: | Nc1nc(SCc2csc(n2)c3ccc(Cl)cc3)c(C#N)c(c4ccc(OCCO)cc4)c1C#N | See All |
| Molfile: | Download |
Reference Record 1
| PubChem: | 9936489 |
| ChEMBL: | CHEMBL3235279 |