Info
| ID | 5102 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C49H49IrN6O2/(1-56)(2-50)(3-50)(4-61)(5-50)(6-55)(7-86)(8-56)(9-51)(10-55)(11-87)(12-69)(13-51)(14-51)(15-56)(16-66)(17-52)(18-52)(19-71)(20-57)(21-89)(22-52)(23-53)(24-53)(25-53)(26-67)(27-89)(28-65)(29-57)(30-63)(31-54)(32-54)(33-54)(34-55)(35-57)(36-62)(37-58)(38-58)(39-70)(40-68)(41-64)(42-90)(43-59)(44-60)(45-90)(46-88)(47-58)(48-100)(49-101)(50-72)(51-73)(52-74)(53-75)(54-76)(55-89)(56-82)(57-84)(58-90)(59-60)(59-80)(60-61)(61-66)(62-65)(62-77)(63-91)(63-96)(64-78)(64-81)(65-86)(66-79)(67-68)(67-87)(68-78)(69-82)(69-83)(70-94)(70-97)(71-84)(71-85)(72-73)(72-74)(73-75)(74-76)(75-76)(77-81)(77-92)(78-93)(79-80)(79-95)(80-98)(81-88)(82-91)(83-95)(83-96)(84-94)(85-95)(85-97)(86-99)(87-103)(88-104)(89-100)(90-101)(91-100)(92-93)(92-99)(93-103)(94-101)(95-102)(96-106)(97-106)(98-102)(98-105)(102-104)(103-107)(104-107)(106-107)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 16HBE | 5 | — | 10.1039/c9dt00999j | 2019 |
| HeLa | 6.7 | — | 10.1039/c9dt00999j | 2019 |
| A549 | 7.9 | — | 10.1039/c9dt00999j | 2019 |
| HepG2 | 9.7 | — | 10.1039/c9dt00999j | 2019 |
| BEAS-2B | 12 | — | 10.1039/c9dt00999j | 2019 |
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.