Info
| ID | 445 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 1, "O": 1} |
| Abbreviation | 2 |
| SMILES | COC1=C(Br)c2ccnc3c([O-])c4cc(OC)c(OC)cc4c(c23)C1=O.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C29H27BrNO5Ru/(1-30)(2-33)(3-45)(4-28)(5-31)(6-50)(7-28)(8-30)(9-28)(10-48)(11-34)(12-29)(13-32)(14-29)(15-48)(16-36)(17-30)(18-29)(19-49)(20-49)(21-48)(22-35)(23-50)(24-37)(25-49)(26-50)(27-46)(28-45)(29-45)(30-39)(31-33)(31-39)(32-34)(32-39)(33-38)(34-38)(35-43)(35-53)(36-42)(36-52)(37-44)(37-46)(38-45)(40-41)(40-44)(40-47)(41-42)(41-51)(42-43)(43-55)(44-56)(46-57)(47-55)(47-57)(48-61)(49-62)(50-60)(51-54)(51-58)(52-53)(52-61)(53-60)(54-56)(54-62)(55-59)(56-63)(57-64)(62-64)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| T24 | 1.3 | — | 10.1002/anie.202208570 | 2022 |
| HeLa | 3 | — | 10.1002/anie.202208570 | 2022 |
| HT-29 | 9.3 | — | 10.1002/anie.202208570 | 2022 |
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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