Info
| ID | 5675 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 1} |
| Abbreviation | Ir(III) complex 13 |
| SMILES | C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccn3)=CC[C@@H]12.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-] |
TUCAN
C34Cl2IrNO/(1-20)(2-22)(3-30)(4-23)(5-27)(6-31)(7-28)(8-12)(8-30)(9-11)(9-25)(10-14)(10-24)(11-21)(12-29)(13-24)(13-34)(14-26)(15-17)(15-34)(16-18)(16-19)(17-31)(18-33)(19-32)(20-22)(20-23)(21-30)(21-33)(22-27)(23-28)(24-31)(25-26)(25-30)(26-29)(27-28)(29-31)(32-35)(33-35)(34-36)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 8.5 | — | 10.1021/acs.inorgchem.9b02402 | 2019 |
| RT112 | 9 | — | 10.1021/acs.inorgchem.9b02402 | 2019 |
| RT112 cP | 11 | — | 10.1021/acs.inorgchem.9b02402 | 2019 |
| NHDF | — | — | 10.1021/acs.inorgchem.9b02402 | 2019 |
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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