Info
| ID | 4500 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ru2 |
| SMILES | c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C44H29N7Ru/(1-42)(2-47)(3-32)(4-60)(5-45)(6-46)(7-61)(8-50)(9-52)(10-63)(11-64)(12-30)(13-38)(14-51)(15-31)(16-49)(17-44)(18-33)(19-62)(20-40)(21-34)(22-35)(23-43)(24-39)(25-36)(26-48)(27-41)(28-37)(29-74)(30-32)(30-53)(31-45)(31-55)(32-60)(33-36)(33-53)(34-35)(34-55)(35-56)(36-58)(37-41)(37-43)(38-39)(38-73)(39-54)(40-41)(40-66)(42-52)(42-67)(43-54)(44-46)(44-56)(45-61)(46-63)(47-50)(47-57)(48-49)(48-58)(49-64)(50-52)(51-59)(51-62)(53-65)(54-66)(55-68)(56-69)(57-59)(57-67)(58-71)(59-70)(60-75)(61-77)(62-78)(63-79)(64-80)(65-71)(65-75)(66-76)(67-74)(68-69)(68-77)(69-79)(70-72)(70-74)(71-80)(72-73)(72-78)(73-76)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 8.5 | — | 10.1093/nsr/nwae234 | 2024 |
| PC-3 | 13 | — | 10.1093/nsr/nwae234 | 2024 |
| A549cisR | 14 | — | 10.1093/nsr/nwae234 | 2024 |
| MDA-MB-231 | 28 | — | 10.1093/nsr/nwae234 | 2024 |
| HeLa | 38 | — | 10.1093/nsr/nwae234 | 2024 |
| U-87 MG | — | — | 10.1093/nsr/nwae234 | 2024 |
| HLF | — | — | 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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