Info
| ID | 5287 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | IrP |
| SMILES | CC#N.CC#N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C26H22IrN4/(1-36)(2-23)(3-23)(4-23)(5-29)(6-35)(7-37)(8-40)(9-45)(10-39)(11-38)(12-46)(13-24)(14-24)(15-30)(16-27)(17-32)(18-28)(19-31)(20-33)(21-34)(22-24)(23-43)(24-44)(25-30)(25-41)(26-33)(26-42)(27-35)(27-37)(28-36)(28-45)(29-36)(29-47)(30-35)(31-38)(31-39)(32-40)(32-48)(33-38)(34-40)(34-46)(37-41)(39-42)(41-47)(42-48)(43-49)(44-50)(45-51)(46-52)(47-51)(48-52)(51-53)(52-53)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 23 | 10 | 10.1039/C7DT02477K | 2017 |
| PC-3 | 23 | 8.9 | 10.1039/C7DT02477K | 2017 |
| A549cisR | 27 | 13 | 10.1039/C7DT02477K | 2017 |
| HepG2 | 40 | 18 | 10.1039/C7DT02477K | 2017 |
| LO2 | 59 | 19 | 10.1039/C7DT02477K | 2017 |
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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