Info
| ID | 5082 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1ccnc(-c2cc(/C=N/N3C(=O)C4=CC=CC5C(N6CCCC6)=CC=C(C3=O)C45)ccn2)c1.[Cl-] |
TUCAN
C49H46IrN5O2/(1-51)(2-51)(3-51)(4-48)(5-48)(6-48)(7-50)(8-57)(9-85)(10-70)(11-70)(12-69)(13-84)(14-55)(15-67)(16-71)(17-86)(18-88)(19-56)(20-71)(21-66)(22-89)(23-89)(24-53)(25-90)(26-52)(27-87)(28-54)(29-90)(30-47)(31-47)(32-59)(33-47)(34-50)(35-49)(36-58)(37-62)(38-61)(39-63)(40-64)(41-68)(42-50)(43-60)(44-49)(45-49)(46-65)(47-76)(48-81)(49-79)(50-82)(51-83)(52-83)(52-92)(53-73)(53-91)(54-56)(54-57)(55-73)(55-86)(56-72)(57-84)(58-59)(58-74)(59-78)(60-68)(60-78)(61-62)(61-63)(62-77)(63-64)(64-65)(65-77)(66-67)(66-93)(67-80)(68-74)(69-83)(69-88)(70-71)(70-89)(71-90)(72-85)(72-94)(73-87)(74-75)(75-76)(75-79)(76-81)(77-78)(79-82)(80-85)(80-95)(81-82)(84-85)(84-93)(86-96)(87-100)(88-99)(89-97)(90-97)(91-92)(91-96)(92-99)(93-97)(94-98)(94-101)(95-98)(95-102)(98-100)(99-103)(100-103)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 11 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| HepG2 | 12 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| BEAS-2B | 14 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
| A549 | 16 | — | 10.1016/j.ejmech.2019.111599 | 2019 |
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.