Info
| ID | 4979 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | MitoIrL2 |
| SMILES | [c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.c1ccc(-n2c(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc3c4cccnc4c4ncccc4c32)cc1 |
TUCAN
C81H58IrN6OPS2/(1-64)(2-77)(3-121)(4-107)(5-74)(6-61)(7-66)(8-130)(9-102)(10-71)(11-73)(12-118)(13-79)(14-69)(15-90)(16-108)(17-63)(18-80)(19-75)(20-103)(21-70)(22-82)(23-96)(24-132)(25-62)(26-68)(27-65)(28-88)(29-67)(30-84)(31-87)(32-86)(33-89)(34-91)(35-93)(36-119)(37-94)(38-83)(39-108)(40-85)(41-92)(42-107)(43-76)(44-130)(45-78)(46-132)(47-72)(48-81)(49-97)(50-105)(51-120)(52-98)(53-99)(54-100)(55-101)(56-95)(57-104)(58-106)(59-111)(59-138)(60-116)(60-139)(61-63)(61-74)(62-75)(62-109)(63-126)(64-77)(64-133)(65-76)(65-109)(66-77)(66-79)(67-86)(67-119)(68-79)(68-133)(69-80)(69-88)(70-110)(70-118)(71-82)(71-110)(72-81)(72-96)(73-82)(73-102)(74-78)(75-131)(76-131)(78-83)(80-84)(81-97)(83-126)(84-134)(85-90)(85-113)(86-112)(87-93)(87-94)(88-89)(89-134)(90-121)(91-93)(91-135)(92-94)(92-135)(95-103)(95-104)(96-111)(97-136)(98-99)(98-116)(99-100)(100-101)(101-137)(102-114)(103-106)(104-115)(105-115)(105-120)(106-117)(107-108)(107-132)(108-130)(109-129)(110-114)(111-136)(112-122)(112-124)(113-123)(113-125)(114-127)(115-117)(116-137)(117-128)(118-142)(119-140)(120-145)(121-143)(122-123)(122-141)(123-144)(124-125)(124-140)(125-143)(126-141)(127-138)(127-142)(128-139)(128-145)(129-141)(129-144)(130-146)(131-146)(132-147)(133-147)(134-147)(135-147)(136-148)(137-149)(138-148)(139-149)(142-150)(143-150)(144-150)(145-150)(148-150)(149-150)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 15 | 0.2 | 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.