Info
| ID | 844 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)Nc1cc2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C49H36ClFN10O3Ru/(1-62)(2-40)(3-47)(4-42)(5-45)(6-41)(7-37)(8-51)(9-65)(10-63)(11-64)(12-67)(13-48)(14-38)(15-66)(16-43)(17-57)(18-58)(19-79)(20-79)(21-55)(22-79)(23-52)(24-50)(25-46)(26-53)(27-80)(28-56)(29-39)(30-80)(31-54)(32-44)(33-49)(34-77)(35-89)(36-88)(37-40)(37-62)(38-42)(38-63)(39-45)(39-64)(40-41)(41-68)(42-43)(43-69)(44-54)(44-66)(45-46)(46-75)(47-48)(47-65)(48-59)(49-60)(49-81)(50-56)(50-84)(51-73)(51-85)(52-58)(52-61)(53-54)(53-76)(55-72)(55-82)(56-73)(57-59)(57-74)(58-67)(59-71)(60-72)(60-78)(61-70)(61-74)(62-90)(63-91)(64-94)(65-86)(66-95)(67-87)(68-69)(68-90)(69-91)(70-71)(70-87)(71-86)(72-93)(73-88)(74-89)(75-76)(75-94)(76-95)(77-92)(77-93)(78-88)(78-92)(79-98)(80-83)(80-97)(81-82)(81-97)(82-98)(83-89)(83-96)(84-85)(84-99)(85-100)(90-101)(91-101)(92-101)(93-101)(94-101)(95-101)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A431 | 15 | 1.8 | 10.1039/d3dt01661g | 2023 |
| HeLa | 18 | 1.7 | 10.1039/d3dt01661g | 2023 |
| A549 | 19 | 10 | 10.1039/d3dt01661g | 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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