Info
| ID | 1713 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Complex 1 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 |
TUCAN
C31H29N4O2Ru/(1-54)(2-31)(3-31)(4-31)(5-53)(6-33)(7-42)(8-47)(9-34)(10-41)(11-55)(12-39)(13-46)(14-45)(15-43)(16-44)(17-38)(18-40)(19-58)(20-36)(21-37)(22-30)(23-35)(24-32)(25-32)(26-30)(27-30)(28-32)(29-48)(30-51)(31-53)(32-53)(33-47)(33-58)(34-42)(34-50)(35-36)(35-51)(36-52)(37-48)(37-52)(38-46)(38-50)(39-41)(39-57)(40-45)(40-57)(41-44)(42-43)(43-46)(44-45)(47-59)(48-51)(49-54)(49-55)(49-56)(50-56)(52-53)(54-62)(55-63)(56-61)(57-62)(58-66)(59-60)(59-66)(60-64)(60-65)(61-62)(63-64)(63-67)(64-67)(66-67)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 7.2 | — | 10.1002/aoc.4751 | 2019 |
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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