Info
| ID | 5707 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 1 |
| SMILES | Clc1ccnc2c1ccc1c(Cl)ccnc12.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1 |
TUCAN
C36H22Cl2IrN4O2/(1-25)(2-28)(3-38)(4-27)(5-30)(6-34)(7-29)(8-36)(9-47)(10-32)(11-50)(12-31)(13-33)(14-48)(15-49)(16-26)(17-37)(18-35)(19-55)(20-56)(21-39)(22-40)(23-31)(23-41)(24-33)(24-43)(25-27)(25-44)(26-28)(26-47)(27-41)(28-30)(29-36)(29-42)(30-53)(31-44)(32-37)(32-45)(33-45)(34-38)(34-54)(35-38)(35-50)(36-46)(37-43)(39-48)(39-57)(40-49)(40-58)(41-53)(42-51)(42-57)(43-54)(44-55)(45-56)(46-52)(46-58)(47-59)(48-60)(49-62)(50-61)(51-52)(51-60)(52-62)(53-59)(54-61)(55-63)(56-64)(57-65)(58-66)(59-67)(60-67)(61-67)(62-67)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1016/j.cclet.2022.03.059 | 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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