Info
| ID | 4502 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru4 |
| SMILES | c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12 |
TUCAN
C34H26N8Ru/(1-32)(2-30)(3-50)(4-37)(5-34)(6-42)(7-46)(8-39)(9-51)(10-43)(11-41)(12-48)(13-49)(14-31)(15-52)(16-27)(17-33)(18-29)(19-28)(20-38)(21-47)(22-35)(23-36)(24-40)(25-62)(26-61)(27-29)(27-45)(28-44)(28-47)(29-33)(30-32)(30-54)(31-32)(31-46)(33-38)(34-37)(34-56)(35-37)(35-48)(36-39)(36-49)(38-57)(39-42)(40-41)(40-52)(41-43)(42-58)(43-59)(44-45)(44-55)(45-57)(46-63)(47-67)(48-64)(49-65)(50-51)(50-62)(51-68)(52-66)(53-55)(53-60)(53-67)(54-56)(54-63)(55-61)(56-64)(57-61)(58-59)(58-65)(59-66)(60-62)(60-68)(63-69)(64-69)(65-69)(66-69)(67-69)(68-69)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 5.3 | — | 10.1093/nsr/nwae234 | 2024 |
| MDA-MB-231 | 5.5 | — | 10.1093/nsr/nwae234 | 2024 |
| PC-3 | 5.9 | — | 10.1093/nsr/nwae234 | 2024 |
| A549cisR | 6.4 | — | 10.1093/nsr/nwae234 | 2024 |
| HeLa | 8.9 | — | 10.1093/nsr/nwae234 | 2024 |
| HLF | 14 | — | 10.1093/nsr/nwae234 | 2024 |
| U-87 MG | — | — | 10.1093/nsr/nwae234 | 2024 |
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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