Info
| ID | 3163 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru3 |
| SMILES | c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1 |
TUCAN
C42H32N6Ru/(1-33)(2-38)(3-34)(4-65)(5-48)(6-35)(7-42)(8-41)(9-63)(10-52)(11-66)(12-64)(13-39)(14-47)(15-37)(16-55)(17-44)(18-43)(19-50)(20-40)(21-49)(22-36)(23-57)(24-46)(25-58)(26-51)(27-53)(28-45)(29-54)(30-67)(31-68)(32-56)(33-34)(33-38)(34-35)(35-39)(36-40)(36-49)(37-42)(37-71)(38-59)(39-59)(40-51)(41-42)(41-63)(43-44)(43-64)(44-55)(45-46)(45-57)(46-67)(47-60)(47-65)(48-60)(48-69)(49-53)(50-62)(50-66)(51-61)(52-62)(52-70)(53-61)(54-56)(54-58)(55-72)(56-68)(57-73)(58-74)(59-60)(61-62)(63-75)(64-76)(65-77)(66-78)(67-79)(68-80)(69-70)(69-77)(70-78)(71-73)(71-75)(72-74)(72-76)(73-79)(74-80)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | 37 | 0.3 | 10.1002/asia.202300047 | 2023 |
| A549 | 98 | 0.1 | 10.1002/asia.202300047 | 2023 |
| NP69 | 1.2e+02 | 0.3 | 10.1002/asia.202300047 | 2023 |
| HeLa | 1.4e+02 | 0.3 | 10.1002/asia.202300047 | 2023 |
| A431 | 1.4e+02 | 0.05 | 10.1002/asia.202300047 | 2023 |
| A549cisR | — | 0.1 | 10.1002/asia.202300047 | 2023 |
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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