Info
| ID | 2008 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 1} |
| Abbreviation | 1a |
| SMILES | CC(=O)/C=C(/C)[O-].Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1ccccc1)c1ccccc1 |
TUCAN
C31H36N2O2PRu/(1-45)(2-46)(3-42)(4-43)(5-38)(6-38)(7-37)(8-38)(9-48)(10-39)(11-47)(12-60)(13-60)(14-49)(15-37)(16-40)(17-39)(18-39)(19-60)(20-44)(21-61)(22-62)(23-50)(24-51)(25-54)(26-53)(27-52)(28-40)(29-40)(30-41)(31-41)(32-41)(33-59)(34-56)(35-55)(36-37)(37-58)(38-63)(39-64)(40-59)(41-59)(42-45)(42-65)(43-45)(43-46)(44-46)(44-65)(47-49)(47-57)(48-63)(48-64)(49-58)(50-51)(50-52)(51-66)(52-53)(53-54)(54-66)(55-56)(55-58)(56-57)(57-59)(60-68)(61-62)(61-68)(62-69)(63-70)(64-71)(65-72)(66-72)(67-68)(67-69)(67-72)(69-73)(72-73)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CAPAN-1 | 24 | — | 10.1016/j.jinorgbio.2012.07.02... | 2012 |
| MCF-7 | 62 | — | 10.1016/j.jinorgbio.2012.07.02... | 2012 |
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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