Info
| ID | 4877 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | [4a]Cl |
| SMILES | O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C39H34IrN6OS/(1-37)(2-42)(3-60)(4-39)(5-40)(6-45)(7-38)(8-47)(9-41)(10-44)(11-62)(12-53)(13-62)(14-55)(15-46)(16-49)(17-64)(18-54)(19-73)(20-57)(21-55)(22-63)(23-48)(24-61)(25-50)(26-72)(27-56)(28-57)(29-56)(30-63)(31-52)(32-43)(33-51)(34-64)(35-42)(35-58)(36-45)(36-59)(37-39)(37-60)(38-42)(38-44)(39-40)(40-65)(41-45)(41-51)(43-48)(43-61)(44-47)(46-49)(46-53)(47-58)(48-52)(49-54)(50-51)(50-59)(52-66)(53-69)(54-68)(55-57)(55-62)(56-57)(56-63)(58-65)(59-66)(60-76)(61-77)(62-74)(63-74)(64-71)(64-75)(65-76)(66-77)(67-70)(67-72)(67-78)(68-69)(68-79)(69-75)(70-75)(70-79)(71-74)(71-80)(72-81)(73-78)(73-81)(76-82)(77-82)(78-82)(79-82)(81-82)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 3.9 | 0.92 | 10.1016/j.jinorgbio.2022.11179... | 2022 |
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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