Info
| ID | 5227 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2, "F": 1} |
| Abbreviation | Ir6 |
| SMILES | COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](-c2ccccc2F)c1C |
TUCAN
C45H59FIrN2O2/(1-69)(2-69)(3-81)(4-69)(5-70)(6-62)(7-74)(8-60)(9-60)(10-94)(11-75)(12-62)(13-60)(14-76)(15-77)(16-70)(17-62)(18-82)(19-61)(20-61)(21-63)(22-63)(23-63)(24-61)(25-64)(26-64)(27-66)(28-66)(29-67)(30-67)(31-96)(32-71)(33-67)(34-102)(35-102)(36-78)(37-68)(38-79)(39-68)(40-71)(41-71)(42-102)(43-68)(44-80)(45-72)(46-72)(47-72)(48-95)(49-66)(50-64)(51-65)(52-65)(53-83)(54-70)(55-65)(56-97)(57-73)(58-73)(59-73)(60-85)(61-86)(62-94)(63-94)(64-95)(65-95)(66-99)(67-96)(68-96)(69-84)(70-92)(71-101)(72-97)(73-97)(74-82)(74-104)(75-76)(75-87)(76-77)(77-88)(78-79)(78-89)(79-80)(80-93)(81-83)(81-90)(82-83)(84-85)(84-91)(85-86)(86-92)(87-94)(87-98)(88-95)(88-98)(89-96)(89-100)(90-91)(90-104)(91-92)(93-97)(93-100)(98-105)(99-101)(99-105)(100-106)(101-103)(101-106)(102-108)(103-107)(103-108)(104-109)(105-110)(106-110)(108-110)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 1.9 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HepG2 | 2.1 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HeLa | 2.2 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| A549 | 2.4 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| 16HBE | 3 | — | 10.1021/acs.inorgchem.9b00282 | 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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