Info
| ID | 4929 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1cccc2c1c1nc3ccccc3nc1c1ccccc21.[c-]1cccc2c1c1nc3ccccc3nc1c1ccccc21 |
TUCAN
C49H34IrN8/(1-38)(2-41)(3-39)(4-43)(5-40)(6-42)(7-37)(8-69)(9-70)(10-72)(11-51)(12-50)(13-54)(14-46)(15-48)(16-56)(17-45)(18-44)(19-67)(20-67)(21-71)(22-83)(23-67)(24-58)(25-49)(26-57)(27-47)(28-55)(29-53)(30-52)(31-68)(32-68)(33-83)(34-68)(35-42)(35-59)(36-46)(36-61)(37-38)(37-73)(38-40)(39-40)(39-74)(41-42)(41-43)(43-60)(44-52)(44-53)(45-53)(45-78)(46-58)(47-48)(47-50)(48-62)(49-50)(49-63)(51-58)(51-64)(52-75)(54-55)(54-57)(55-56)(56-65)(57-66)(59-60)(59-76)(60-62)(61-64)(61-79)(62-63)(63-77)(64-65)(65-66)(66-80)(67-84)(68-86)(69-70)(69-84)(70-85)(71-72)(71-86)(72-87)(73-74)(73-88)(74-89)(75-78)(75-90)(76-77)(76-88)(77-89)(78-91)(79-80)(79-90)(80-91)(81-84)(81-85)(82-86)(82-87)(83-85)(83-87)(88-92)(89-92)(90-92)(91-92)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.5 | — | 10.1016/j.jinorgbio.2019.11097... | 2020 |
| U-87 MG | 1.5 | — | 10.1016/j.jinorgbio.2019.11097... | 2020 |
| A549cisR | 1.7 | — | 10.1016/j.jinorgbio.2019.11097... | 2020 |
| HeLa | 1.8 | — | 10.1016/j.jinorgbio.2019.11097... | 2020 |
| LO2 | 12 | — | 10.1016/j.jinorgbio.2019.11097... | 2020 |
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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