Info
| ID | 5297 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir4 |
| SMILES | CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12 |
TUCAN
C41H40IrN6S2/(1-66)(2-47)(3-65)(4-49)(5-68)(6-45)(7-51)(8-58)(9-55)(10-69)(11-48)(12-53)(13-60)(14-60)(15-71)(16-71)(17-41)(18-41)(19-67)(20-41)(21-61)(22-61)(23-59)(24-59)(25-42)(26-42)(27-77)(28-72)(29-72)(30-77)(31-54)(32-57)(33-56)(34-62)(35-42)(36-70)(37-46)(38-52)(39-50)(40-62)(41-60)(42-61)(43-63)(43-79)(44-64)(44-81)(45-47)(45-65)(46-54)(46-78)(47-51)(48-53)(48-54)(49-55)(49-58)(50-56)(50-80)(51-73)(52-56)(52-57)(53-63)(55-74)(57-64)(58-68)(59-60)(59-71)(61-62)(62-72)(63-78)(64-80)(65-86)(66-67)(66-83)(67-82)(68-87)(69-70)(69-85)(70-84)(71-82)(72-84)(73-79)(73-86)(74-81)(74-87)(75-82)(75-83)(76-84)(76-85)(77-83)(77-85)(78-88)(79-88)(80-89)(81-89)(86-90)(87-90)(88-90)(89-90)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 1.3 | 0.02 | 10.1039/C7DT01903C | 2017 |
| U-87 MG | 1.6 | 0.04 | 10.1039/C7DT01903C | 2017 |
| HeLa | 1.8 | 0.11 | 10.1039/C7DT01903C | 2017 |
| LO2 | 2.1 | 0.5 | 10.1039/C7DT01903C | 2017 |
| A549 | 2.2 | 0.025 | 10.1039/C7DT01903C | 2017 |
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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