Info
| ID | 5765 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | IrTS2 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(/N=C/c2[c-]cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.[Cl-] |
TUCAN
C43ClIrN2/(1-29)(2-31)(3-32)(4-30)(5-35)(6-37)(7-36)(8-9)(8-31)(9-40)(10-14)(10-40)(11-25)(11-34)(12-25)(12-27)(13-16)(13-38)(14-31)(15-26)(15-43)(16-42)(17-28)(17-43)(18-20)(18-41)(19-21)(19-42)(20-35)(21-38)(22-24)(22-35)(23-27)(23-34)(24-41)(26-32)(28-32)(29-30)(29-36)(30-33)(33-34)(33-37)(36-37)(38-39)(39-44)(40-45)(41-45)(42-45)(43-44)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 75 | — | 10.1016/j.jinorgbio.2024.11279... | 2024 |
| A549 | 82 | — | 10.1016/j.jinorgbio.2024.11279... | 2024 |
| BEAS-2B | 90 | — | 10.1016/j.jinorgbio.2024.11279... | 2024 |
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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