Info
| ID | 5804 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-NPX |
| SMILES | COc1ccc2cc([C@H](C)C(=O)NCc3ccnc(-c4cc(C)ccn4)c3)ccc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C48H41IrN5O2/(1-78)(2-52)(3-51)(4-61)(5-82)(6-60)(7-48)(8-46)(9-49)(10-62)(11-64)(12-65)(13-54)(14-59)(15-47)(16-67)(17-43)(18-43)(19-77)(20-43)(21-68)(22-55)(23-56)(24-87)(25-53)(26-69)(27-42)(28-57)(29-79)(30-58)(31-63)(32-87)(33-82)(34-80)(35-42)(36-42)(37-50)(38-81)(39-66)(40-87)(41-90)(42-76)(43-77)(44-60)(44-70)(45-67)(45-71)(46-51)(46-60)(47-51)(47-70)(48-49)(48-78)(49-61)(50-62)(50-79)(52-59)(52-74)(53-73)(53-80)(54-74)(54-88)(55-56)(55-72)(56-88)(57-76)(57-81)(58-73)(58-85)(59-75)(61-83)(62-65)(63-66)(63-71)(64-66)(64-67)(65-86)(68-72)(68-75)(69-76)(69-84)(70-83)(71-86)(72-74)(73-82)(75-77)(77-89)(78-91)(79-92)(80-94)(81-93)(82-90)(83-91)(84-85)(84-93)(85-94)(86-92)(87-96)(88-96)(89-90)(89-95)(91-97)(92-97)(93-97)(94-97)(96-97)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 2.9 | — | 10.1016/j.ica.2025.122601 | 2025 |
| A549 | 6.4 | — | 10.1016/j.ica.2025.122601 | 2025 |
| HeLa | 24 | — | 10.1016/j.ica.2025.122601 | 2025 |
| HLF | 37 | — | 10.1016/j.ica.2025.122601 | 2025 |
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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