Info
| ID | 5645 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir3 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(N=C2c3cccc4cccc(c34)C2(CC(C)C)Nc2ccc(C)cc2)cc1.[Cl-] |
TUCAN
C40ClIrN2/(1-25)(2-27)(3-27)(4-26)(5-28)(6-33)(7-30)(8-36)(9-29)(10-27)(10-40)(11-18)(11-35)(12-22)(12-23)(13-14)(13-33)(14-37)(15-16)(15-37)(16-33)(17-18)(17-34)(19-21)(19-39)(20-24)(20-39)(21-29)(22-34)(23-32)(24-29)(25-26)(25-28)(26-30)(28-36)(30-36)(31-32)(31-34)(31-35)(32-38)(35-40)(37-42)(38-40)(38-41)(39-41)(40-42)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 4T1 | 11 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| HeLa | 17 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| A549 | 20 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| BEAS-2B | 23 | — | 10.1021/acs.inorgchem.3c02118 | 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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