Info
| ID | 4912 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2 |
| SMILES | Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C44H27IrN7/(1-35)(2-31)(3-59)(4-44)(5-36)(6-45)(7-33)(8-39)(9-41)(10-48)(11-42)(12-62)(13-38)(14-46)(15-32)(16-34)(17-60)(18-49)(19-61)(20-43)(21-50)(22-47)(23-30)(24-40)(25-37)(26-72)(27-72)(28-31)(28-51)(29-44)(29-52)(30-33)(30-53)(31-35)(32-36)(32-53)(33-56)(34-37)(34-54)(35-45)(36-59)(37-60)(38-43)(38-55)(39-44)(39-47)(40-46)(40-54)(41-48)(41-70)(42-49)(42-61)(43-62)(45-56)(46-57)(47-57)(48-69)(49-58)(50-67)(50-69)(51-56)(51-63)(52-57)(52-64)(53-63)(54-64)(55-65)(55-66)(58-68)(58-71)(59-75)(60-76)(61-78)(62-73)(63-75)(64-76)(65-71)(65-74)(66-68)(66-73)(67-70)(67-74)(68-78)(69-72)(70-77)(71-77)(75-79)(76-79)(77-79)(78-79)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 1.3 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| BEL-7402 | 4.6 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| A549 | 4.8 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| HepG2 | 5.7 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| NIH-3T3 | 11 | — | 10.1016/j.jinorgbio.2019.11082... | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.