Info
| ID | 5805 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2, "P": 2} |
| Abbreviation | 1 |
| SMILES | [Cl-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C47H38IrN2P2/(1-77)(2-41)(3-52)(4-44)(5-53)(6-61)(7-49)(8-57)(9-42)(10-54)(11-43)(12-48)(13-45)(14-46)(15-63)(16-58)(17-55)(18-56)(19-64)(20-66)(21-67)(22-68)(23-65)(24-85)(25-85)(26-69)(27-78)(28-59)(29-60)(30-70)(31-74)(32-51)(33-62)(34-47)(35-72)(36-73)(37-50)(38-71)(39-47)(39-75)(40-50)(40-76)(41-44)(41-52)(42-52)(42-53)(43-54)(43-57)(44-81)(45-55)(45-57)(46-56)(46-58)(47-59)(48-59)(48-61)(49-60)(49-77)(50-62)(51-62)(51-74)(53-81)(54-82)(55-82)(56-83)(58-63)(60-70)(61-75)(63-64)(64-83)(65-66)(65-84)(66-68)(67-68)(67-69)(69-84)(70-79)(71-72)(71-78)(72-73)(73-80)(74-76)(75-79)(76-80)(77-86)(78-87)(79-86)(80-87)(81-88)(82-88)(83-89)(84-89)(85-88)(85-89)(86-90)(87-90)(88-90)(89-90)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.077 | — | 10.1016/j.saa.2024.125150 | 2024 |
| HCC1937 | 0.094 | — | 10.1016/j.saa.2024.125150 | 2024 |
| MCF-7 | 0.2 | — | 10.1016/j.saa.2024.125150 | 2024 |
| Vero | 1.4 | — | 10.1016/j.saa.2024.125150 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.