Info
| ID | 3859 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2, "P": 1} |
| Abbreviation | 4 |
| SMILES | O=C(c1ccccn1)c1ccccn1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C34H28N2OPRu/(1-32)(2-39)(3-29)(4-30)(5-42)(6-31)(7-45)(8-38)(9-36)(10-55)(11-34)(12-33)(13-51)(14-48)(15-49)(16-50)(17-54)(18-46)(19-35)(20-41)(21-43)(22-40)(23-47)(24-44)(25-53)(26-56)(27-52)(28-37)(29-31)(29-32)(30-31)(30-39)(32-60)(33-36)(33-57)(34-48)(34-49)(35-38)(35-41)(36-51)(37-53)(37-58)(38-42)(39-60)(40-43)(40-44)(41-45)(42-61)(43-46)(44-47)(45-61)(46-62)(47-62)(48-50)(49-54)(50-54)(51-55)(52-53)(52-56)(55-63)(56-64)(57-59)(57-63)(58-59)(58-64)(59-65)(60-66)(61-66)(62-66)(63-67)(64-67)(66-67)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.23 | — | 10.1016/j.jinorgbio.2012.04.01... | 2012 |
| MCF-7 | 0.41 | — | 10.1016/j.jinorgbio.2012.04.01... | 2012 |
| A2780 | 0.46 | — | 10.1016/j.jinorgbio.2012.04.01... | 2012 |
| A2780cisR | 0.47 | — | 10.1016/j.jinorgbio.2012.04.01... | 2012 |
| HT-29 | 0.53 | — | 10.1016/j.jinorgbio.2012.04.01... | 2012 |
| PC-3 | 1.9 | — | 10.1016/j.jinorgbio.2012.04.01... | 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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