Info
| ID | 5694 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | OA-Ir |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(Cn3cc(CNC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)nn3)ccn2)c1.[Cl-] |
TUCAN
C55H77IrN6O2/(1-125)(2-99)(3-89)(4-85)(5-89)(6-95)(7-116)(8-85)(9-89)(10-85)(11-78)(12-78)(13-78)(14-79)(15-79)(16-79)(17-80)(18-80)(19-104)(20-102)(21-101)(22-96)(23-90)(24-90)(25-102)(26-98)(27-103)(28-97)(29-101)(30-90)(31-103)(32-97)(33-83)(34-123)(35-84)(36-100)(37-87)(38-84)(39-127)(40-94)(41-92)(42-98)(43-99)(44-105)(45-87)(46-131)(47-84)(48-127)(49-87)(50-104)(51-83)(52-91)(53-86)(54-126)(55-88)(56-100)(57-86)(58-126)(59-86)(60-124)(61-88)(62-114)(63-93)(64-96)(65-105)(66-115)(67-83)(68-88)(69-80)(70-81)(71-81)(72-81)(73-82)(74-82)(75-82)(76-134)(77-140)(78-106)(79-107)(80-108)(81-109)(82-110)(83-118)(84-119)(85-111)(86-119)(87-120)(88-120)(89-122)(90-121)(91-111)(91-130)(92-104)(92-112)(93-113)(93-123)(94-113)(94-129)(95-111)(95-125)(96-97)(96-117)(97-118)(98-99)(98-131)(99-122)(100-114)(100-120)(101-103)(101-115)(102-105)(102-120)(103-121)(104-116)(105-117)(106-107)(106-108)(107-109)(108-110)(109-110)(112-114)(112-118)(113-127)(114-117)(115-119)(115-122)(116-121)(116-122)(117-132)(118-121)(119-131)(123-133)(124-128)(124-135)(125-137)(126-128)(126-134)(127-135)(128-138)(129-130)(129-133)(130-137)(131-140)(132-134)(132-139)(135-136)(136-138)(137-141)(138-141)(140-141)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 5.9 | — | 10.1016/j.jinorgbio.2022.11205... | 2022 |
| HLF | 12 | — | 10.1016/j.jinorgbio.2022.11205... | 2022 |
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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.