Info
| ID | 5845 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir1 |
| SMILES | NC(=S)NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C34H27IrN5OS/(1-32)(2-31)(3-56)(4-43)(5-30)(6-46)(7-42)(8-35)(9-34)(10-33)(11-48)(12-41)(13-40)(14-36)(15-57)(16-37)(17-39)(18-49)(19-45)(20-47)(21-44)(22-38)(23-55)(24-63)(25-62)(26-62)(27-67)(28-31)(28-50)(29-42)(29-51)(30-39)(30-46)(31-32)(32-43)(33-41)(33-52)(34-48)(34-52)(35-42)(35-45)(36-43)(36-50)(37-44)(37-47)(38-45)(38-51)(39-58)(40-48)(40-49)(41-60)(44-59)(46-56)(47-57)(49-53)(50-58)(51-59)(52-53)(53-54)(54-55)(54-60)(55-66)(56-64)(57-65)(58-64)(59-65)(60-67)(61-62)(61-63)(61-68)(63-66)(64-69)(65-69)(66-69)(67-69)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 12 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| LoVo | 13 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| A375 | 14 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| BEL-7402cisR | 15 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| HK-2 | 44 | — | 10.1021/acs.jmedchem.3c02227 | 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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