Info
| ID | 3157 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | 3 |
| SMILES | O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C35H27N4O2Ru/(1-53)(2-29)(3-28)(4-54)(5-37)(6-34)(7-36)(8-32)(9-55)(10-30)(11-39)(12-38)(13-33)(14-43)(15-35)(16-50)(17-42)(18-31)(19-56)(20-40)(21-44)(22-45)(23-46)(24-47)(25-41)(26-49)(27-48)(28-29)(28-30)(29-53)(30-57)(31-32)(31-58)(32-40)(33-34)(33-43)(34-51)(35-61)(35-62)(36-42)(36-51)(37-39)(37-54)(38-44)(38-55)(39-45)(40-56)(41-47)(41-52)(42-43)(44-46)(45-59)(46-60)(47-50)(48-49)(48-50)(49-52)(51-61)(52-62)(53-63)(54-64)(55-65)(56-66)(57-58)(57-63)(58-66)(59-60)(59-64)(60-65)(61-67)(62-68)(63-69)(64-69)(65-69)(66-69)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.29 | — | 10.1002/ejic.202100468 | 2021 |
| MIA PaCa-2 | 0.35 | — | 10.1002/ejic.202100468 | 2021 |
| HL60 | 0.6 | 0.53 | 10.1002/ejic.202100468 | 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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