Info
| ID | 5578 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2b |
| SMILES | CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cc(-c2ccccc2)ccc1-c1ccccn1 |
TUCAN
C48H39IrN5O/(1-46)(2-54)(3-47)(4-78)(5-57)(6-44)(7-48)(8-58)(9-41)(10-67)(11-60)(12-79)(13-51)(14-55)(15-50)(16-56)(17-66)(18-52)(19-81)(20-45)(21-40)(22-40)(23-82)(24-41)(25-80)(26-53)(27-49)(28-62)(29-63)(30-64)(31-61)(32-59)(33-65)(34-40)(35-82)(36-41)(37-69)(38-68)(39-88)(40-82)(41-77)(42-46)(42-73)(43-53)(43-75)(44-47)(44-48)(45-58)(45-83)(46-72)(47-71)(48-50)(49-52)(49-62)(50-51)(51-71)(52-55)(53-76)(54-56)(54-72)(55-74)(56-73)(57-58)(57-78)(59-66)(59-81)(60-77)(60-84)(61-62)(61-74)(63-65)(63-76)(64-66)(64-85)(65-75)(67-77)(67-79)(68-70)(68-86)(69-70)(69-80)(70-87)(71-72)(73-83)(74-76)(75-85)(78-89)(79-92)(80-91)(81-90)(82-88)(83-89)(84-86)(84-92)(85-90)(86-91)(87-88)(87-93)(89-94)(90-94)(91-94)(92-94)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 6.1 | — | 10.1016/j.biomaterials.2013.06... | 2013 |
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.