Info
| ID | 4978 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrL1 |
| SMILES | CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12 |
TUCAN
C63H44IrN6OS2/(1-69)(2-53)(3-51)(4-49)(5-50)(6-48)(7-60)(8-56)(9-66)(10-58)(11-57)(12-61)(13-92)(14-64)(15-45)(16-45)(17-80)(18-45)(19-70)(20-102)(21-79)(22-80)(23-75)(24-93)(25-52)(26-67)(27-62)(28-68)(29-59)(30-72)(31-90)(32-76)(33-63)(34-102)(35-71)(36-54)(37-74)(38-91)(39-78)(40-55)(41-73)(42-77)(43-65)(44-79)(45-80)(46-87)(46-106)(47-84)(47-107)(48-49)(48-104)(49-73)(50-60)(50-87)(51-74)(51-83)(52-54)(52-86)(53-83)(53-90)(54-56)(55-67)(55-81)(56-57)(57-82)(58-59)(58-60)(59-105)(61-64)(61-100)(62-78)(62-91)(63-64)(63-65)(65-68)(66-82)(66-93)(67-74)(68-100)(69-70)(69-89)(70-103)(71-75)(71-88)(72-73)(72-84)(75-92)(76-77)(76-103)(77-89)(78-85)(79-80)(79-102)(81-83)(81-99)(82-86)(84-104)(85-95)(85-96)(86-94)(87-105)(88-97)(88-98)(89-101)(90-112)(91-108)(92-113)(93-110)(94-107)(94-110)(95-97)(95-109)(96-98)(96-108)(97-111)(98-113)(99-106)(99-112)(100-109)(101-109)(101-111)(102-114)(103-114)(104-115)(105-116)(106-116)(107-115)(110-117)(111-117)(112-117)(113-117)(114-117)(116-117)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 20 | 0.51 | 10.1002/ange.202014959 | 2021 |
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.