Info
| ID | 5114 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | O=Cc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C48H32IrN6O/(1-69)(2-39)(3-46)(4-42)(5-36)(6-48)(7-70)(8-38)(9-50)(10-49)(11-58)(12-57)(13-51)(14-53)(15-80)(16-59)(17-60)(18-44)(19-72)(20-40)(21-41)(22-45)(23-56)(24-43)(25-55)(26-47)(27-71)(28-52)(29-35)(30-54)(31-37)(32-82)(33-39)(33-61)(34-41)(34-62)(35-42)(35-61)(36-39)(36-42)(37-51)(37-62)(38-49)(38-69)(40-49)(40-73)(41-58)(43-46)(43-66)(44-47)(44-71)(45-54)(45-67)(46-64)(47-65)(48-53)(48-63)(50-57)(50-70)(51-58)(52-59)(52-66)(53-68)(54-72)(55-60)(55-68)(56-57)(56-74)(59-64)(60-63)(61-73)(62-74)(63-79)(64-68)(65-76)(65-78)(66-80)(67-75)(67-77)(69-83)(70-86)(71-85)(72-81)(73-83)(74-86)(75-76)(75-81)(76-85)(77-78)(77-82)(78-84)(79-82)(79-84)(80-87)(83-88)(84-88)(85-88)(86-88)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | — | 5.5 | 10.1016/j.ejmech.2018.04.013 | 2018 |
| HeLa | — | 6.4 | 10.1016/j.ejmech.2018.04.013 | 2018 |
| EC109 | — | — | 10.1016/j.ejmech.2018.04.013 | 2018 |
| SGC-7901 | — | — | 10.1016/j.ejmech.2018.04.013 | 2018 |
| A549 | — | — | 10.1016/j.ejmech.2018.04.013 | 2018 |
| HepG2 | — | — | 10.1016/j.ejmech.2018.04.013 | 2018 |
| LO2 | — | 56 | 10.1016/j.ejmech.2018.04.013 | 2018 |
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.