Info
| ID | 5065 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 3} |
| Abbreviation | Ir-2 |
| SMILES | Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1 |
TUCAN
C34H26Cl2IrN3O/(1-43)(2-27)(3-45)(4-33)(5-38)(6-27)(7-32)(8-27)(9-37)(10-34)(11-52)(12-53)(13-29)(14-35)(15-39)(16-28)(17-28)(18-41)(19-36)(20-40)(21-42)(22-29)(23-29)(24-44)(25-28)(26-46)(27-47)(28-57)(29-51)(30-37)(30-48)(31-44)(31-49)(32-37)(32-43)(33-36)(33-47)(34-59)(34-60)(35-42)(35-51)(36-52)(38-43)(38-48)(39-44)(39-45)(40-45)(40-49)(41-46)(41-50)(42-53)(46-57)(47-54)(48-54)(49-56)(50-55)(50-60)(51-56)(52-61)(53-62)(54-61)(55-58)(55-63)(56-62)(57-63)(58-59)(58-64)(59-66)(60-65)(61-67)(62-67)(63-67)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.67 | — | 10.1016/j.ejmech.2020.112192 | 2020 |
| SK-OV-3 | 1.6 | — | 10.1016/j.ejmech.2020.112192 | 2020 |
| HL-7702 | — | — | 10.1016/j.ejmech.2020.112192 | 2020 |
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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