Info
| ID | 5627 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | [4]NO3 |
| SMILES | C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)ccn3)c2)c(Cl)c1Cl.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C49H55Cl2IrN4O11S/(1-90)(2-91)(3-87)(4-57)(5-70)(6-62)(7-93)(8-63)(9-57)(10-57)(11-58)(12-88)(13-58)(14-58)(15-73)(16-68)(17-71)(18-59)(19-72)(20-71)(21-67)(22-73)(23-59)(24-59)(25-101)(26-101)(27-60)(28-65)(29-60)(30-91)(31-92)(32-92)(33-66)(34-60)(35-72)(36-84)(37-61)(38-102)(39-62)(40-70)(41-93)(42-61)(43-61)(44-62)(45-90)(46-89)(47-56)(48-64)(49-69)(50-83)(51-69)(52-89)(53-56)(54-105)(55-106)(56-79)(57-74)(58-75)(59-76)(60-77)(61-78)(62-69)(63-81)(63-84)(64-81)(64-85)(65-80)(65-86)(66-80)(66-83)(67-68)(67-95)(68-82)(69-79)(70-71)(70-73)(71-72)(72-102)(73-98)(74-75)(74-76)(75-77)(76-78)(77-78)(79-94)(80-99)(81-97)(82-94)(82-103)(83-107)(84-108)(85-86)(85-108)(86-107)(87-88)(87-102)(87-105)(88-101)(88-106)(89-90)(89-115)(90-116)(91-92)(91-117)(92-118)(93-100)(93-119)(94-113)(95-104)(95-119)(96-105)(96-106)(96-109)(97-110)(97-115)(98-111)(98-116)(99-112)(99-117)(100-114)(100-118)(101-120)(102-120)(103-104)(103-121)(104-122)(107-123)(108-123)(118-123)(119-123)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 7 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| A2780cisR | 8.5 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| MCF-7 | 9 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| HEK293 | 12 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| HeLa | 24 | — | 10.1021/acs.inorgchem.1c00641 | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.