Info
| ID | 5596 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2b |
| SMILES | CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C45H33IrN7O/(1-70)(2-39)(3-65)(4-51)(5-66)(6-38)(7-45)(8-53)(9-48)(10-55)(11-55)(12-70)(13-56)(14-56)(15-34)(16-67)(17-54)(18-69)(19-43)(20-50)(21-37)(22-40)(23-41)(24-34)(25-49)(26-68)(27-44)(28-52)(29-46)(30-47)(31-42)(32-34)(33-81)(34-56)(35-45)(35-57)(36-52)(36-58)(37-40)(37-59)(38-51)(38-60)(39-48)(39-59)(40-60)(41-53)(41-61)(42-47)(42-61)(43-44)(43-62)(44-69)(45-48)(46-50)(46-63)(47-63)(49-54)(49-64)(50-52)(51-65)(53-66)(54-68)(55-56)(55-70)(57-59)(57-71)(58-63)(58-72)(60-71)(61-72)(62-73)(62-75)(64-74)(64-76)(65-82)(66-83)(67-77)(67-85)(68-84)(69-80)(70-81)(71-82)(72-83)(73-76)(73-79)(74-75)(74-84)(75-80)(76-85)(77-78)(77-79)(78-81)(78-86)(82-87)(83-87)(84-87)(85-87)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3.3 | — | 10.1021/ic902465b | 2010 |
| MDCK | 8 | — | 10.1021/ic902465b | 2010 |
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.