Info
| ID | 3530 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | 4 |
| SMILES | O=S(=O)([O-])c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C53H36N5O3RuS/(1-45)(2-39)(3-80)(4-38)(5-37)(6-41)(7-43)(8-49)(9-60)(10-50)(11-42)(12-46)(13-40)(14-53)(15-48)(16-81)(17-82)(18-44)(19-84)(20-52)(21-59)(22-67)(23-64)(24-47)(25-51)(26-56)(27-54)(28-62)(29-66)(30-63)(31-65)(32-55)(33-57)(34-58)(35-61)(36-83)(37-40)(37-69)(38-70)(38-80)(39-42)(39-45)(40-74)(41-42)(41-49)(43-44)(43-50)(44-46)(45-68)(46-53)(47-72)(47-81)(48-59)(48-77)(49-68)(50-71)(51-75)(51-82)(52-55)(52-63)(53-71)(54-78)(54-84)(55-73)(56-57)(56-63)(57-73)(58-62)(58-76)(59-79)(60-67)(60-83)(61-66)(61-76)(62-65)(64-67)(64-89)(65-66)(68-70)(69-70)(69-85)(71-72)(72-74)(73-75)(74-86)(75-77)(76-78)(77-87)(78-79)(79-88)(80-90)(81-92)(82-93)(83-91)(84-94)(85-86)(85-90)(86-92)(87-88)(87-93)(88-94)(89-91)(89-98)(90-99)(91-99)(92-99)(93-99)(94-99)(95-98)(96-98)(97-98)(98-99)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SK-OV-3 | 11 | 0.13 | 10.1039/c9dt00441f | 2019 |
| A549cisR | 12 | 0.22 | 10.1039/c9dt00441f | 2019 |
| SK-OV-3cisR | 15 | 0.36 | 10.1039/c9dt00441f | 2019 |
| HeLa | 25 | 0.25 | 10.1039/c9dt00441f | 2019 |
| A549 | 25 | 0.26 | 10.1039/c9dt00441f | 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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