Info
| ID | 4911 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 1 |
| SMILES | Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C40H27IrN7/(1-37)(2-31)(3-55)(4-44)(5-56)(6-36)(7-42)(8-38)(9-30)(10-35)(11-40)(12-47)(13-41)(14-57)(15-49)(16-43)(17-39)(18-45)(19-48)(20-58)(21-34)(22-50)(23-32)(24-46)(25-33)(26-68)(27-68)(28-44)(28-51)(29-46)(29-52)(30-31)(30-51)(31-37)(32-43)(32-59)(33-45)(33-60)(34-49)(34-57)(35-42)(35-52)(36-43)(36-55)(37-44)(38-45)(38-56)(39-42)(39-46)(40-47)(40-65)(41-48)(41-58)(47-64)(48-54)(49-53)(50-62)(50-64)(51-59)(52-60)(53-61)(53-67)(54-63)(54-66)(55-71)(56-72)(57-70)(58-73)(59-71)(60-72)(61-66)(61-69)(62-65)(62-69)(63-67)(63-73)(64-68)(65-74)(66-74)(67-70)(71-75)(72-75)(73-75)(74-75)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 3.2 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| SGC-7901 | 4.9 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| BEL-7402 | 7.4 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| NIH-3T3 | 13 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| HepG2 | 15 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
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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