Info
| ID | 5832 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 6 |
| SMILES | COc1ccc([C@@H]([NH-])[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C |
TUCAN
C44H45IrN2O4S/(1-52)(2-54)(3-51)(4-46)(5-47)(6-55)(7-47)(8-53)(9-47)(10-49)(11-49)(12-56)(13-59)(14-62)(15-49)(16-57)(17-65)(18-58)(19-50)(20-61)(21-60)(22-85)(23-71)(24-83)(25-84)(26-63)(27-67)(28-69)(29-50)(30-50)(31-85)(32-85)(33-86)(34-46)(35-46)(36-64)(37-48)(38-86)(39-48)(40-66)(41-70)(42-68)(43-48)(44-86)(45-90)(46-78)(47-76)(48-79)(49-77)(50-81)(51-55)(51-74)(52-54)(52-73)(53-57)(53-74)(54-72)(55-56)(56-57)(58-65)(58-72)(59-64)(59-82)(60-61)(60-89)(61-81)(62-63)(62-87)(63-80)(64-88)(65-73)(66-67)(66-80)(67-87)(68-70)(68-82)(69-71)(69-81)(70-88)(71-89)(72-74)(73-75)(75-76)(75-77)(76-78)(77-79)(78-79)(80-84)(82-83)(83-84)(83-91)(84-90)(85-92)(86-93)(87-92)(88-93)(89-96)(90-97)(91-96)(91-97)(94-96)(95-96)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.7 | — | 10.1002/cctc.202401490 | 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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