Info
| ID | 5461 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 1 |
| SMILES | CCCCCOc1cc(C)nc2c1ccc1c(OCCCCC)cc(C)nc12.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1 |
TUCAN
C48H52IrN4O2/(1-53)(2-70)(3-61)(4-65)(5-54)(6-62)(7-68)(8-54)(9-55)(10-89)(11-54)(12-69)(13-57)(14-90)(15-64)(16-73)(17-79)(18-57)(19-72)(20-63)(21-97)(22-77)(23-55)(24-55)(25-97)(26-66)(27-79)(28-78)(29-78)(30-82)(31-77)(32-67)(33-56)(34-76)(35-98)(36-81)(37-82)(38-80)(39-53)(40-56)(41-57)(42-71)(43-80)(44-53)(45-81)(46-58)(47-74)(48-56)(49-75)(50-58)(51-58)(52-98)(53-79)(54-86)(55-95)(56-96)(57-87)(58-80)(59-68)(59-83)(60-73)(60-88)(61-64)(61-89)(62-65)(62-86)(63-71)(63-90)(64-70)(65-83)(66-67)(66-84)(67-85)(68-86)(69-74)(69-88)(70-92)(71-75)(72-95)(72-99)(73-87)(74-87)(75-94)(76-96)(76-100)(77-78)(77-97)(78-79)(80-82)(81-82)(81-98)(83-92)(84-91)(84-99)(85-93)(85-100)(88-94)(89-102)(90-104)(91-93)(91-101)(92-102)(93-103)(94-104)(95-101)(96-103)(97-105)(98-106)(99-105)(100-106)(101-107)(102-107)(103-107)(104-107)
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.