Info
| ID | 5579 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 4b |
| SMILES | CCNC(=O)c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1 |
TUCAN
C48H35IrN5OS2/(1-58)(2-60)(3-55)(4-41)(5-61)(6-46)(7-48)(8-51)(9-52)(10-73)(11-53)(12-74)(13-63)(14-37)(15-45)(16-54)(17-57)(18-42)(19-50)(20-40)(21-36)(22-74)(23-72)(24-37)(25-44)(26-43)(27-59)(28-47)(29-56)(30-49)(31-36)(32-36)(33-62)(34-37)(35-84)(36-74)(37-71)(38-45)(38-68)(39-43)(39-65)(40-49)(40-81)(41-48)(41-59)(42-60)(42-75)(43-57)(44-45)(44-64)(46-54)(46-55)(47-55)(47-70)(48-58)(49-60)(50-61)(50-77)(51-56)(51-61)(52-66)(52-76)(53-71)(53-78)(54-64)(56-80)(57-67)(58-67)(59-69)(62-66)(62-72)(63-71)(63-73)(64-70)(65-69)(65-82)(66-79)(67-69)(68-70)(68-83)(72-88)(73-87)(74-84)(75-81)(75-85)(76-78)(76-88)(77-80)(77-86)(78-87)(79-84)(79-89)(80-91)(81-90)(82-85)(82-90)(83-86)(83-91)(85-92)(86-92)(87-92)(88-92)(91-92)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.12 | — | 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.