Info
| ID | 6027 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccnc(-c2cc(C(=O)NCCSC#N)ccn2)c1 |
TUCAN
C49H38IrN6O5S/(1-73)(2-86)(3-54)(4-81)(5-74)(6-52)(7-81)(8-81)(9-82)(10-42)(11-86)(12-45)(13-44)(14-82)(15-46)(16-53)(17-47)(18-82)(19-63)(20-56)(21-72)(22-61)(23-74)(24-55)(25-39)(26-43)(27-39)(28-39)(29-51)(30-60)(31-50)(32-49)(33-58)(34-59)(35-48)(36-57)(37-62)(38-89)(39-64)(40-51)(40-66)(41-58)(41-68)(42-70)(42-73)(43-64)(43-79)(44-51)(44-52)(45-52)(45-66)(46-53)(46-67)(47-53)(47-54)(48-57)(48-68)(49-57)(49-58)(50-59)(50-61)(54-76)(55-64)(55-72)(56-65)(56-77)(59-78)(60-70)(60-75)(61-63)(62-71)(62-80)(63-69)(65-67)(65-84)(66-77)(67-76)(68-80)(69-71)(69-78)(70-83)(71-85)(72-93)(73-90)(74-86)(74-89)(75-79)(75-90)(76-91)(77-91)(78-92)(79-93)(80-92)(81-97)(82-98)(83-89)(83-94)(84-95)(84-97)(85-96)(85-98)(86-99)(87-88)(87-99)(90-100)(91-100)(92-100)(93-100)(97-100)(98-100)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 2.5 | 0.02 | 10.1039/d4cb00316k | 2025 |
| U-87 MG | 2.7 | 0.02 | 10.1039/d4cb00316k | 2025 |
| HEK293 | 3.5 | 0.04 | 10.1039/d4cb00316k | 2025 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.