Info
| ID | 5462 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 2 |
| SMILES | CCOCCOc1cc(C)nc2c1ccc1c(OCCOCC)cc(C)nc12.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1 |
TUCAN
C46H48IrN4O4/(1-49)(2-79)(3-58)(4-50)(5-50)(6-53)(7-63)(8-62)(9-80)(10-50)(11-67)(12-57)(13-66)(14-52)(15-53)(16-60)(17-49)(18-49)(19-87)(20-64)(21-89)(22-88)(23-88)(24-90)(25-87)(26-65)(27-51)(28-69)(29-92)(30-89)(31-53)(32-72)(33-51)(34-61)(35-52)(36-59)(37-91)(38-54)(39-92)(40-91)(41-70)(42-51)(43-68)(44-71)(45-52)(46-54)(47-54)(48-90)(49-84)(50-73)(51-86)(52-77)(53-89)(54-91)(55-59)(55-76)(56-70)(56-78)(57-63)(57-79)(58-62)(58-73)(59-73)(60-63)(60-81)(61-68)(61-80)(62-76)(64-65)(64-74)(65-75)(66-84)(66-93)(67-71)(67-78)(68-72)(69-86)(69-94)(70-77)(71-77)(72-85)(74-82)(74-93)(75-83)(75-94)(76-81)(78-85)(79-95)(80-98)(81-95)(82-83)(82-96)(83-97)(84-96)(85-98)(86-97)(87-88)(87-99)(88-101)(89-101)(90-92)(90-102)(91-102)(92-100)(93-99)(94-100)(95-103)(96-103)(97-103)(98-103)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 2.4 | — | 10.1002/zaac.202000287 | 2020 |
| MCF-7 | 2.7 | — | 10.1002/zaac.202000287 | 2020 |
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.