Info
| ID | 5837 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3a |
| SMILES | Oc1ccc(F)c(F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C49H30F2IrN6O/(1-36)(2-41)(3-39)(4-35)(5-37)(6-33)(7-40)(8-46)(9-34)(10-45)(11-50)(12-49)(13-67)(14-51)(15-43)(16-66)(17-52)(18-53)(19-42)(20-55)(21-56)(22-69)(23-44)(24-48)(25-54)(26-47)(27-68)(28-38)(29-81)(30-86)(31-37)(31-61)(32-47)(32-62)(33-35)(33-57)(34-37)(34-41)(35-36)(36-40)(38-42)(38-43)(39-41)(39-61)(40-60)(42-58)(43-48)(44-51)(44-59)(45-52)(45-54)(46-60)(46-66)(47-52)(48-63)(49-55)(49-79)(50-56)(50-64)(51-69)(53-63)(53-68)(54-62)(55-77)(56-67)(57-60)(57-73)(58-63)(58-75)(59-71)(59-72)(61-73)(62-75)(64-70)(64-74)(65-76)(65-77)(65-78)(66-82)(67-83)(68-84)(69-80)(70-72)(70-83)(71-74)(71-81)(72-80)(73-82)(74-85)(75-84)(76-81)(76-85)(77-86)(78-79)(78-87)(79-88)(82-89)(83-89)(84-89)(85-89)(86-89)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| LA795 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| BEL-7402 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| HepG2 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| SGC-7901 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| A549 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
| LO2 | — | — | 10.1021/acs.jmedchem.4c01026 | 2024 |
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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