Info
| ID | 5056 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 2 |
| SMILES | Cc1c(C)c(Cc2ccccn2)[c-](C)c1C.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C28H26IrN2/(1-52)(2-27)(3-32)(4-28)(5-40)(6-33)(7-27)(8-34)(9-42)(10-42)(11-27)(12-29)(13-36)(14-29)(15-28)(16-28)(17-38)(18-41)(19-51)(20-37)(21-39)(22-30)(23-30)(24-30)(25-29)(26-35)(27-48)(28-47)(29-50)(30-49)(31-38)(31-43)(32-41)(32-44)(33-37)(33-51)(34-35)(34-52)(35-36)(36-54)(37-44)(38-39)(39-40)(40-45)(41-45)(42-46)(42-54)(43-45)(43-53)(44-53)(46-48)(46-50)(47-48)(47-49)(49-50)(51-55)(52-56)(53-55)(54-56)(55-57)(56-57)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 0.06 | — | 10.1021/acs.jmedchem.9b02000 | 2020 |
| MRC-5 | 1.3 | — | 10.1021/acs.jmedchem.9b02000 | 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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