Info
| ID | 2955 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-] |
TUCAN
C31H33Cl2N5ORu/(1-34)(2-42)(3-43)(4-41)(5-34)(6-39)(7-54)(8-56)(9-57)(10-48)(11-40)(12-57)(13-45)(14-55)(15-58)(16-37)(17-38)(18-48)(19-61)(20-46)(21-56)(22-44)(23-58)(24-35)(25-35)(26-47)(27-35)(28-36)(29-36)(30-36)(31-34)(32-53)(33-65)(34-51)(35-53)(36-53)(37-39)(37-60)(38-40)(38-64)(39-46)(40-49)(41-42)(41-51)(42-52)(43-47)(43-52)(44-46)(44-50)(45-63)(45-64)(47-51)(48-57)(48-58)(49-56)(49-63)(50-59)(50-60)(52-53)(54-55)(54-68)(55-66)(56-67)(57-65)(58-66)(59-62)(59-69)(60-67)(61-66)(61-68)(62-65)(62-70)(63-72)(64-71)(67-69)(68-73)(69-73)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 18 | — | 10.3390/pharmaceutics15051366 | 2023 |
| SW480 | 30 | — | 10.3390/pharmaceutics15051366 | 2023 |
| A549 | 37 | — | 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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