Info
| ID | 5848 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | Ir5 |
| SMILES | CN(C)C([S-])=NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C44H34IrN5OS/(1-41)(2-49)(3-38)(4-47)(5-37)(6-45)(7-48)(8-55)(9-46)(10-52)(11-43)(12-53)(13-72)(14-70)(15-60)(16-70)(17-39)(18-40)(19-50)(20-51)(21-58)(22-57)(23-44)(24-70)(25-71)(26-73)(27-74)(28-59)(29-54)(30-56)(31-42)(32-71)(33-71)(34-84)(35-40)(35-65)(36-54)(36-66)(37-47)(37-61)(38-48)(38-62)(39-61)(39-73)(40-45)(41-49)(41-65)(42-44)(42-52)(43-53)(43-69)(44-60)(45-49)(46-55)(46-66)(47-48)(50-63)(50-74)(51-59)(51-67)(52-69)(53-77)(54-58)(55-58)(56-57)(56-63)(57-59)(60-64)(61-62)(62-75)(63-67)(64-68)(64-69)(65-75)(66-76)(67-76)(68-72)(68-77)(70-79)(71-79)(72-82)(73-80)(74-81)(75-80)(76-81)(77-84)(78-79)(78-83)(78-85)(80-86)(81-86)(82-83)(82-86)(83-86)(84-86)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 0.47 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| BEL-7402cisR | 0.49 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| A375 | 0.52 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| LoVo | 0.58 | — | 10.1021/acs.jmedchem.3c02227 | 2024 |
| HK-2 | 11 | — | 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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