Info
| ID | 827 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 1, "P": 2} |
| Abbreviation | Ru2 |
| SMILES | CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C37H41NP2Ru/(1-48)(2-45)(3-42)(4-42)(5-46)(6-42)(7-45)(8-54)(9-49)(10-50)(11-45)(12-43)(13-51)(14-56)(15-53)(16-47)(17-43)(18-57)(19-58)(20-62)(21-43)(22-55)(23-59)(24-52)(25-64)(26-74)(27-65)(28-63)(29-74)(30-70)(31-70)(32-44)(33-44)(34-44)(35-68)(36-61)(37-60)(38-73)(39-66)(40-67)(41-69)(42-73)(43-73)(44-70)(45-72)(46-47)(46-72)(47-71)(48-49)(48-75)(49-51)(50-51)(50-54)(52-53)(52-55)(53-56)(54-75)(55-57)(56-76)(57-76)(58-59)(58-77)(59-63)(60-61)(60-71)(61-72)(62-65)(62-77)(63-65)(64-67)(64-78)(66-67)(66-69)(68-69)(68-78)(70-74)(71-73)(74-79)(75-80)(76-80)(77-81)(78-81)(79-80)(79-81)(80-82)(81-82)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 0.045 | — | 10.3390/pharmaceutics13101559 | 2021 |
| T47D | 0.06 | — | 10.3390/pharmaceutics13101559 | 2021 |
| SK-BR-3 | 0.08 | — | 10.3390/pharmaceutics13101559 | 2021 |
| BT-474 | 0.18 | — | 10.3390/pharmaceutics13101559 | 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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