Info
| ID | 5525 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 1a |
| SMILES | CCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.[c-]1ccccc1-c1nc2ccccc2[nH]1.[c-]1ccccc1-c1nc2ccccc2[nH]1 |
TUCAN
C44H37IrN7O2/(1-80)(2-50)(3-46)(4-49)(5-52)(6-57)(7-51)(8-43)(9-42)(10-45)(11-64)(12-38)(13-63)(14-64)(15-69)(16-69)(17-38)(18-63)(19-38)(20-62)(21-53)(22-59)(23-80)(24-61)(25-56)(26-58)(27-41)(28-60)(29-80)(30-47)(31-44)(32-55)(33-54)(34-48)(35-68)(36-82)(37-83)(38-64)(39-45)(39-65)(40-48)(40-66)(41-45)(41-49)(42-46)(42-72)(43-50)(43-70)(44-51)(44-76)(46-50)(47-61)(47-67)(48-54)(49-52)(51-56)(52-65)(53-59)(53-62)(54-58)(55-56)(55-71)(57-58)(57-66)(59-74)(60-67)(60-73)(61-75)(62-68)(63-64)(63-69)(65-77)(66-78)(67-81)(68-88)(69-84)(70-72)(70-85)(71-76)(71-86)(72-82)(73-75)(73-87)(74-79)(74-88)(75-84)(76-83)(77-82)(77-85)(78-83)(78-86)(79-84)(79-87)(80-90)(81-89)(81-90)(85-91)(86-91)(87-91)(88-91)(90-91)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 1.3 | — | 10.1039/C6CC07909A | 2016 |
| A2780cisR | 1.9 | — | 10.1039/C6CC07909A | 2016 |
| A2780 | 2.5 | — | 10.1039/C6CC07909A | 2016 |
| MCF-7 | 4 | — | 10.1039/C6CC07909A | 2016 |
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.