Info
| ID | 5598 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 3b |
| SMILES | CCCCNC(=O)c1cnc2c3cccnc3c3ncccc3c2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C49H37IrN7O/(1-64)(2-42)(3-54)(4-41)(5-46)(6-52)(7-61)(8-49)(9-57)(10-44)(11-43)(12-53)(13-45)(14-66)(15-38)(16-65)(17-66)(18-74)(19-56)(20-76)(21-76)(22-65)(23-73)(24-48)(25-63)(26-58)(27-62)(28-51)(29-38)(30-75)(31-47)(32-60)(33-55)(34-50)(35-59)(36-38)(37-89)(38-66)(39-49)(39-67)(40-53)(40-71)(41-44)(41-77)(42-54)(42-68)(43-45)(43-46)(44-68)(45-67)(46-49)(47-48)(47-73)(48-69)(50-57)(50-62)(51-52)(51-54)(52-78)(53-57)(55-58)(55-82)(56-64)(56-72)(58-70)(59-60)(59-61)(60-63)(61-70)(62-71)(63-79)(64-75)(65-66)(65-76)(67-77)(68-78)(69-84)(69-85)(70-79)(71-82)(72-80)(72-81)(73-87)(74-83)(74-93)(75-92)(76-89)(77-90)(78-90)(79-91)(80-84)(80-92)(81-85)(81-93)(82-91)(83-86)(83-88)(84-87)(85-88)(86-89)(86-94)(90-95)(91-95)(92-95)(93-95)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2 | — | 10.1021/ic902465b | 2010 |
| MDCK | 7.4 | — | 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.