Info
| ID | 5854 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir2 |
| SMILES | Cc1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1 |
TUCAN
C42H38F4IrN4O6/(1-75)(2-68)(3-52)(4-45)(5-44)(6-60)(7-43)(8-42)(9-55)(10-54)(11-71)(12-70)(13-74)(14-69)(15-69)(16-49)(17-63)(18-48)(19-39)(20-39)(21-39)(22-74)(23-47)(24-61)(25-73)(26-70)(27-72)(28-68)(29-46)(30-53)(31-51)(32-75)(33-71)(34-73)(35-72)(36-62)(37-50)(38-86)(39-56)(40-44)(40-58)(41-54)(41-59)(42-43)(42-52)(43-60)(44-77)(45-77)(45-78)(46-79)(46-80)(47-53)(47-62)(48-56)(48-63)(49-57)(49-65)(50-56)(50-67)(51-57)(51-61)(52-64)(53-55)(54-79)(55-66)(57-76)(58-64)(58-78)(59-66)(59-80)(60-81)(61-82)(62-83)(63-84)(64-81)(65-67)(65-82)(66-83)(67-84)(68-72)(68-87)(69-74)(69-88)(70-71)(70-86)(71-87)(72-90)(73-75)(73-90)(74-89)(75-89)(76-85)(76-88)(77-92)(78-91)(79-94)(80-93)(81-95)(82-95)(83-95)(84-95)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 1.3 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| A2780 | 1.4 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| PC-3 | 2.7 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| HEK293 | 2.8 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| MCF-7 | 3.1 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| A549 | 3.7 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
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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