Info
| ID | 2612 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 1} |
| Abbreviation | 1 |
| 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.[Cl-].[Cl-] |
TUCAN
C36Cl2NO2Ru/(1-22)(2-27)(3-31)(4-22)(5-32)(6-36)(7-13)(7-23)(8-15)(8-25)(9-16)(9-24)(10-12)(10-31)(11-25)(11-35)(12-26)(13-27)(14-21)(14-23)(15-29)(16-28)(17-19)(17-30)(18-20)(18-32)(19-34)(20-35)(21-27)(22-23)(24-30)(24-31)(25-32)(26-29)(26-32)(28-29)(28-31)(30-33)(33-37)(34-37)(35-39)(36-38)(36-39)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| WI-38 | 11 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| PC-3 | 15 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| LNCaP | 15 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| MCF-7 | 16 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| HCT-116 | 25 | — | 10.1016/j.jinorgbio.2024.11275... | 2025 |
| RDF | 64 | — | 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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