Info
| ID | 5594 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1b |
| SMILES | CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1 |
TUCAN
C37H31IrN9O/(1-49)(2-55)(3-56)(4-43)(5-45)(6-42)(7-44)(8-46)(9-40)(10-50)(11-50)(12-49)(13-32)(14-60)(15-58)(16-48)(17-57)(18-35)(19-47)(20-37)(21-38)(22-32)(23-60)(24-41)(25-59)(26-36)(27-39)(28-53)(29-54)(30-32)(31-71)(32-50)(33-36)(33-61)(34-39)(34-64)(35-36)(35-44)(37-53)(37-55)(38-54)(38-56)(39-47)(40-42)(40-57)(41-48)(41-51)(42-52)(43-44)(43-61)(45-46)(45-64)(46-47)(48-59)(49-50)(49-60)(51-63)(51-65)(52-62)(52-66)(53-72)(54-73)(55-76)(56-77)(57-69)(58-67)(58-74)(59-75)(60-71)(61-72)(62-65)(62-69)(63-66)(63-74)(64-73)(65-75)(66-70)(67-68)(67-70)(68-71)(68-78)(72-76)(73-77)(74-79)(75-79)(76-79)(77-79)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 11 | — | 10.1021/ic902465b | 2010 |
| MDCK | 25 | — | 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.