Info
| ID | 4854 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C50H31FIrN6O/(1-67)(2-42)(3-70)(4-50)(5-58)(6-59)(7-35)(8-34)(9-36)(10-53)(11-39)(12-56)(13-37)(14-60)(15-54)(16-40)(17-57)(18-44)(19-51)(20-47)(21-38)(22-46)(23-68)(24-55)(25-45)(26-52)(27-69)(28-49)(29-48)(30-43)(31-41)(32-42)(32-61)(33-56)(33-62)(34-35)(34-36)(35-67)(36-71)(37-39)(37-43)(38-40)(38-54)(39-72)(40-42)(41-49)(41-55)(43-68)(44-45)(44-58)(45-63)(46-59)(46-64)(47-60)(47-69)(48-51)(48-75)(49-56)(50-58)(50-66)(51-80)(52-66)(52-79)(53-77)(53-80)(54-61)(55-62)(57-63)(57-81)(59-70)(60-65)(61-71)(62-72)(63-66)(64-74)(64-78)(65-73)(65-76)(67-84)(68-85)(69-82)(70-86)(71-84)(72-85)(73-74)(73-82)(74-86)(75-77)(75-87)(76-78)(76-83)(77-83)(78-87)(79-81)(79-88)(80-88)(81-89)(84-90)(85-90)(86-90)(87-90)(88-90)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.2 | — | 10.1016/j.jinorgbio.2022.11194... | 2022 |
| HeLa | 1.3 | — | 10.1016/j.jinorgbio.2022.11194... | 2022 |
| BEL-7402 | 2.5 | — | 10.1016/j.jinorgbio.2022.11194... | 2022 |
| SGC-7901 | 4.8 | — | 10.1016/j.jinorgbio.2022.11194... | 2022 |
| LO2 | 6.2 | — | 10.1016/j.jinorgbio.2022.11194... | 2022 |
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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