Info
| ID | 5759 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 7b |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2cn(CCCCOc3ccccc3-c3nc4ccccc4s3)nn2)nc1 |
TUCAN
C34H36IrN5OS/(1-50)(2-51)(3-52)(4-37)(5-37)(6-37)(7-38)(8-38)(9-53)(10-54)(11-63)(12-48)(13-53)(14-67)(15-49)(16-67)(17-62)(18-43)(19-45)(20-54)(21-44)(22-61)(23-46)(24-47)(25-42)(26-63)(27-38)(28-39)(29-39)(30-39)(31-40)(32-40)(33-40)(34-41)(35-41)(36-41)(37-55)(38-56)(39-57)(40-58)(41-59)(42-43)(42-47)(43-44)(44-68)(45-46)(45-48)(46-49)(47-60)(48-64)(49-69)(50-51)(50-66)(51-52)(52-61)(53-54)(53-63)(54-67)(55-56)(55-57)(56-58)(57-59)(58-59)(60-68)(60-70)(61-71)(62-65)(62-73)(63-73)(64-69)(64-74)(65-66)(65-72)(66-71)(67-76)(68-76)(69-77)(70-74)(70-77)(72-75)(73-75)(74-78)(75-78)(76-78)(77-78)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 16 | — | 10.1021/acsomega.3c01639 | 2023 |
| MCF-7 | 41 | — | 10.1021/acsomega.3c01639 | 2023 |
| U-87 MG | — | — | 10.1021/acsomega.3c01639 | 2023 |
| HEK293 | — | — | 10.1021/acsomega.3c01639 | 2023 |
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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