Info
| ID | 3160 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 2, "N": 4} |
| Abbreviation | 7 |
| SMILES | COc1cc([O-])c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C34H26N4O6RuS/(1-48)(2-27)(3-29)(4-28)(5-30)(6-33)(7-36)(8-44)(9-38)(10-32)(11-49)(12-31)(13-35)(14-39)(15-42)(16-45)(17-56)(18-50)(19-34)(20-51)(21-56)(22-56)(23-37)(24-43)(25-40)(26-41)(27-29)(27-48)(28-29)(28-52)(30-32)(30-53)(31-32)(31-49)(33-35)(33-54)(34-35)(34-50)(36-38)(36-42)(37-46)(37-60)(38-44)(39-40)(39-55)(40-41)(41-51)(42-47)(43-44)(43-47)(45-57)(45-59)(46-58)(46-59)(47-58)(48-61)(49-62)(50-63)(51-64)(52-53)(52-61)(53-62)(54-55)(54-63)(55-64)(56-70)(57-60)(57-70)(58-65)(59-66)(60-71)(61-72)(62-72)(63-72)(64-72)(67-71)(68-71)(69-71)(70-72)(71-72)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | — | — | 10.1002/ejic.202100468 | 2021 |
| MIA PaCa-2 | — | — | 10.1002/ejic.202100468 | 2021 |
| HL60 | — | — | 10.1002/ejic.202100468 | 2021 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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