Info
| ID | 5615 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C48H28Cl2IrN6/(1-33)(2-37)(3-34)(4-41)(5-51)(6-40)(7-32)(8-39)(9-35)(10-63)(11-45)(12-31)(13-46)(14-53)(15-48)(16-47)(17-36)(18-42)(19-49)(20-52)(21-64)(22-66)(23-38)(24-44)(25-65)(26-43)(27-50)(28-54)(29-39)(29-57)(30-45)(30-60)(31-33)(31-41)(32-35)(32-37)(33-55)(34-58)(34-63)(35-57)(36-44)(36-56)(37-39)(38-48)(38-59)(40-41)(40-58)(42-61)(42-65)(43-49)(43-51)(44-52)(45-51)(46-54)(46-62)(47-74)(47-75)(48-66)(49-60)(50-52)(50-61)(53-68)(53-76)(54-64)(55-58)(55-71)(56-61)(56-72)(57-71)(59-67)(59-73)(60-72)(62-69)(62-70)(63-79)(64-81)(65-80)(66-78)(67-70)(67-77)(68-74)(68-82)(69-73)(69-81)(70-82)(71-79)(72-80)(73-78)(74-77)(75-76)(75-83)(76-84)(79-85)(80-85)(81-85)(82-85)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 6.5 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| SGC-7901 | 11 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| A549 | 12 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| HeLa | 24 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| NIH-3T3 | 33 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| BEL-7402 | — | — | 10.1016/j.bioorg.2021.105290 | 2021 |
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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