Info
| ID | 4499 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ru1 |
| SMILES | c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1 |
TUCAN
C40H29N7Ru/(1-34)(2-56)(3-31)(4-37)(5-32)(6-45)(7-36)(8-43)(9-50)(10-39)(11-40)(12-38)(13-41)(14-42)(15-33)(16-57)(17-58)(18-35)(19-44)(20-30)(21-47)(22-46)(23-59)(24-60)(25-48)(26-49)(27-52)(28-51)(29-70)(30-53)(30-56)(31-39)(31-61)(32-42)(32-54)(33-34)(33-57)(34-37)(35-36)(35-58)(36-43)(37-62)(38-48)(38-50)(39-40)(40-44)(41-42)(41-46)(43-63)(44-55)(45-47)(45-66)(46-67)(47-55)(48-59)(49-51)(49-60)(50-64)(51-52)(52-69)(53-54)(53-68)(54-67)(55-61)(56-71)(57-72)(58-74)(59-75)(60-76)(61-73)(62-63)(62-72)(63-74)(64-69)(64-75)(65-66)(65-68)(65-71)(66-73)(67-70)(68-70)(69-76)(71-77)(72-77)(73-77)(74-77)(75-77)(76-77)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 41 | — | 10.1093/nsr/nwae234 | 2024 |
| HeLa | — | — | 10.1093/nsr/nwae234 | 2024 |
| A549 | — | — | 10.1093/nsr/nwae234 | 2024 |
| A549cisR | — | — | 10.1093/nsr/nwae234 | 2024 |
| PC-3 | — | — | 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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