Info
| ID | 6122 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | Cc1ccnc(-c2cc(COc3ccccc3)ccn2)c1.[c-]1cccc2ccc3nc4ccccc4nc3c12.[c-]1cccc2ccc3nc4ccccc4nc3c12 |
TUCAN
C50H34IrN6O/(1-53)(2-54)(3-48)(4-45)(5-50)(6-41)(7-57)(8-46)(9-39)(10-40)(11-43)(12-83)(13-44)(14-52)(15-63)(16-83)(17-62)(18-51)(19-64)(20-38)(21-58)(22-56)(23-61)(24-60)(25-72)(26-35)(27-35)(28-71)(29-59)(30-49)(31-47)(32-55)(33-42)(34-35)(35-65)(36-45)(36-67)(37-56)(37-69)(38-39)(38-76)(39-68)(40-48)(40-73)(41-45)(41-54)(42-65)(42-72)(43-44)(43-62)(44-84)(46-50)(46-55)(47-56)(47-61)(48-60)(49-59)(49-80)(50-78)(51-70)(51-82)(52-62)(52-63)(53-70)(53-71)(54-66)(55-58)(57-60)(57-79)(58-74)(59-66)(61-68)(63-84)(64-65)(64-77)(66-67)(67-75)(68-69)(69-81)(70-83)(71-87)(72-90)(73-79)(73-86)(74-78)(74-89)(75-80)(75-85)(76-81)(76-86)(77-82)(77-90)(78-85)(79-88)(80-89)(81-88)(82-87)(83-91)(84-91)(85-92)(86-92)(87-92)(88-92)(89-92)(90-92)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A431 | 0.49 | 0.005 | 10.1039/d2cc02405e | 2022 |
| MDA-MB-231 | 0.69 | 0.02 | 10.1039/d2cc02405e | 2022 |
| HEK293T | 0.94 | 0.02 | 10.1039/d2cc02405e | 2022 |
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.