Info
| ID | 4927 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C41H26Cl2IrN6/(1-29)(2-41)(3-32)(4-30)(5-40)(6-34)(7-45)(8-55)(9-46)(10-33)(11-39)(12-58)(13-47)(14-43)(15-56)(16-48)(17-31)(18-37)(19-42)(20-38)(21-57)(22-44)(23-35)(24-49)(25-36)(26-69)(27-41)(27-50)(28-45)(28-52)(29-30)(29-55)(30-34)(31-35)(31-50)(32-40)(32-58)(33-35)(33-41)(34-59)(36-37)(36-39)(37-52)(38-43)(38-56)(39-45)(40-46)(42-47)(42-53)(43-54)(44-48)(44-51)(46-62)(47-66)(48-57)(49-53)(49-67)(50-59)(51-61)(51-64)(52-62)(53-65)(54-60)(54-63)(55-70)(56-71)(57-68)(58-72)(59-70)(60-64)(60-71)(61-63)(61-69)(62-72)(63-73)(64-68)(65-69)(65-73)(66-67)(66-75)(67-74)(70-76)(71-76)(72-76)(73-76)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| HCT-116 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| BEL-7402 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| EC109 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| B16 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| HeLa | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2020.11101... | 2020 |
| NIH-3T3 | — | — | 10.1016/j.jinorgbio.2020.11101... | 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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