Info
| ID | 5734 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | IrN3 |
| SMILES | N#[N+][N-]Cc1c[c-]c(C2=NCCO2)cc1.[Cl-].c1cc[cH-]c1 |
TUCAN
C15H14IrN4O/(1-16)(2-18)(3-19)(4-17)(5-28)(6-20)(7-21)(8-23)(9-28)(10-26)(11-26)(12-27)(13-27)(14-22)(15-22)(15-24)(16-18)(16-19)(17-23)(17-25)(18-20)(19-21)(20-21)(22-25)(23-24)(24-29)(25-27)(26-28)(26-30)(27-32)(28-34)(29-30)(29-34)(31-33)(32-33)(32-35)(33-35)(34-35)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 6.4 | — | 10.1021/acs.jmedchem.3c02000 | 2024 |
| A2780 | 8.3 | — | 10.1021/acs.jmedchem.3c02000 | 2024 |
| HuH-7 | 8.9 | — | 10.1021/acs.jmedchem.3c02000 | 2024 |
| HEK293 | 9.3 | — | 10.1021/acs.jmedchem.3c02000 | 2024 |
| HeLa | 11 | — | 10.1021/acs.jmedchem.3c02000 | 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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