Info
| ID | 2613 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 1, "O": 2} |
| Abbreviation | 2 |
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-] |
TUCAN
C38H47NO6Ru/(1-61)(2-54)(3-50)(4-74)(5-49)(6-64)(7-66)(8-48)(9-55)(10-50)(11-49)(12-48)(13-64)(14-66)(15-50)(16-56)(17-51)(18-75)(19-57)(20-65)(21-53)(22-67)(23-67)(24-68)(25-63)(26-77)(27-52)(28-52)(29-68)(30-82)(31-76)(32-65)(33-52)(34-63)(35-53)(36-53)(37-62)(38-80)(39-59)(40-48)(41-49)(42-62)(43-81)(44-60)(45-58)(46-51)(47-51)(48-70)(49-78)(50-74)(51-74)(52-83)(53-79)(54-56)(54-69)(55-57)(55-69)(56-70)(57-70)(58-63)(58-71)(59-64)(59-73)(60-61)(60-80)(61-72)(62-65)(62-78)(63-77)(64-75)(65-76)(66-71)(66-82)(67-68)(67-79)(68-82)(69-74)(71-79)(72-73)(72-81)(73-78)(75-77)(75-78)(76-77)(76-79)(80-86)(81-86)(82-92)(83-89)(83-92)(84-85)(84-87)(84-88)(85-90)(85-91)(86-93)(92-93)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| WI-38 | 9 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| MCF-7 | 11 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| HCT-116 | 13 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| LNCaP | 17 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| PC-3 | 31 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| RDF | — | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
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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