Info
| ID | 904 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"P": 2} |
| Abbreviation | 2b |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C35H36P2Ru/(1-43)(2-44)(3-71)(4-48)(5-40)(6-41)(7-49)(8-45)(9-42)(10-38)(11-51)(12-53)(13-55)(14-47)(15-52)(16-56)(17-50)(18-59)(19-54)(20-57)(21-71)(22-60)(23-58)(24-63)(25-61)(26-37)(27-38)(28-38)(29-37)(30-66)(31-46)(32-62)(33-39)(34-37)(35-39)(36-39)(37-64)(38-66)(39-66)(40-44)(40-67)(41-48)(41-67)(42-45)(42-64)(43-44)(43-48)(45-65)(46-62)(46-65)(47-51)(47-68)(49-51)(49-53)(50-55)(50-56)(52-53)(52-68)(54-55)(54-69)(56-57)(57-69)(58-59)(58-70)(59-60)(60-63)(61-63)(61-70)(62-64)(65-66)(67-72)(68-72)(69-73)(70-73)(71-72)(71-73)(72-74)(73-74)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.7 | — | 10.1016/j.jorganchem.2020.1216... | 2021 |
| NCI-H460 | 3.1 | — | 10.1016/j.jinorgbio.2009.09.01... | 2010 |
| MDA-MB-231 | 3.7 | — | 10.1016/j.jorganchem.2020.1216... | 2021 |
| MCF-12A | 8.5 | — | 10.1016/j.jorganchem.2020.1216... | 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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