Info
| ID | 5416 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2 |
| SMILES | [c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 |
TUCAN
C54H34IrN6O/(1-43)(2-47)(3-53)(4-39)(5-42)(6-76)(7-62)(8-49)(9-65)(10-48)(11-44)(12-40)(13-56)(14-45)(15-60)(16-61)(17-63)(18-38)(19-52)(20-57)(21-59)(22-41)(23-55)(24-46)(25-58)(26-54)(27-78)(28-75)(29-37)(30-51)(31-77)(32-66)(33-50)(34-64)(35-42)(35-71)(36-62)(36-74)(37-67)(37-76)(38-45)(38-67)(39-44)(39-45)(40-47)(40-57)(41-47)(41-88)(42-48)(43-48)(43-60)(44-69)(46-54)(46-81)(49-51)(49-61)(50-68)(50-77)(51-70)(52-59)(52-72)(53-56)(53-73)(54-87)(55-57)(55-88)(56-75)(58-80)(58-87)(59-78)(60-71)(61-66)(62-63)(63-65)(64-65)(64-74)(66-68)(67-69)(68-70)(69-82)(70-84)(71-82)(72-83)(72-86)(73-79)(73-85)(74-84)(75-90)(76-92)(77-93)(78-91)(79-83)(79-90)(80-81)(80-89)(81-94)(82-92)(83-91)(84-93)(85-86)(85-89)(86-94)(87-95)(88-95)(91-96)(92-96)(93-96)(94-96)(95-96)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.7 | — | 10.1007/s00775-021-01895-3 | 2021 |
| BEL-7402 | 3.7 | — | 10.1007/s00775-021-01895-3 | 2021 |
| NIH-3T3 | 4 | — | 10.1007/s00775-021-01895-3 | 2021 |
| SGC-7901 | 4.4 | — | 10.1007/s00775-021-01895-3 | 2021 |
| HepG2 | 4.4 | — | 10.1007/s00775-021-01895-3 | 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.