Info
| ID | 2954 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5} |
| Abbreviation | 7 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-] |
TUCAN
C30H31Cl2N5ORu/(1-32)(2-38)(3-33)(4-37)(5-32)(6-41)(7-51)(8-53)(9-55)(10-35)(11-42)(12-52)(13-54)(14-44)(15-43)(16-55)(17-58)(18-36)(19-53)(20-40)(21-54)(22-45)(23-33)(24-39)(25-33)(26-34)(27-34)(28-34)(29-32)(30-50)(31-62)(32-47)(33-50)(34-50)(35-43)(35-46)(36-40)(36-41)(37-38)(37-47)(38-48)(39-45)(39-48)(40-49)(41-44)(42-60)(42-61)(43-60)(44-56)(45-47)(46-53)(46-61)(48-50)(49-56)(49-57)(51-52)(51-65)(52-63)(53-64)(54-55)(54-63)(55-62)(56-64)(57-59)(57-66)(58-63)(58-65)(59-62)(59-67)(60-69)(61-68)(64-66)(65-70)(66-70)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW480 | 34 | — | 10.3390/pharmaceutics15051366 | 2023 |
| A549 | 39 | — | 10.3390/pharmaceutics15051366 | 2023 |
| MCF-7 | 41 | — | 10.3390/pharmaceutics15051366 | 2023 |
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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