Info
| ID | 4899 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1 |
TUCAN
C50H37IrN5/(1-52)(2-48)(3-57)(4-56)(5-44)(6-65)(7-51)(8-46)(9-67)(10-78)(11-41)(12-59)(13-40)(14-58)(15-69)(16-45)(17-80)(18-70)(19-49)(20-62)(21-61)(22-77)(23-60)(24-42)(25-50)(26-63)(27-79)(28-54)(29-43)(30-53)(31-55)(32-47)(33-72)(34-68)(35-64)(36-71)(37-66)(38-45)(38-75)(39-71)(39-76)(40-48)(40-56)(41-48)(41-82)(42-56)(42-82)(43-60)(43-85)(44-58)(44-83)(45-51)(46-51)(46-64)(47-67)(47-84)(49-73)(49-77)(50-61)(50-83)(52-67)(52-78)(53-63)(53-85)(54-57)(54-79)(55-60)(55-63)(57-59)(58-74)(59-86)(61-74)(62-73)(62-81)(64-75)(65-69)(65-80)(66-68)(66-76)(68-70)(69-72)(70-71)(72-87)(73-74)(75-84)(76-87)(77-89)(78-91)(79-90)(80-92)(81-86)(81-89)(82-88)(83-88)(84-91)(85-88)(86-90)(87-92)(89-93)(90-93)(91-93)(92-93)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 4.3 | — | 10.1016/j.jinorgbio.2019.11075... | 2019 |
| BEAS-2B | 5.5 | — | 10.1016/j.jinorgbio.2019.11075... | 2019 |
| 16HBE | 6 | — | 10.1016/j.jinorgbio.2019.11075... | 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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