Info
| ID | 5222 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir1 |
| 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-](C)c1C |
TUCAN
C40H58IrN2O2/(1-59)(2-59)(3-59)(4-60)(5-60)(6-62)(7-60)(8-61)(9-61)(10-61)(11-89)(12-74)(13-62)(14-69)(15-75)(16-76)(17-69)(18-62)(19-69)(20-70)(21-70)(22-63)(23-63)(24-63)(25-64)(26-64)(27-70)(28-64)(29-65)(30-66)(31-67)(32-67)(33-67)(34-68)(35-68)(36-68)(37-73)(38-73)(39-97)(40-97)(41-97)(42-91)(43-71)(44-77)(45-71)(46-71)(47-92)(48-73)(49-72)(50-78)(51-72)(52-79)(53-72)(54-65)(55-66)(56-65)(57-90)(58-66)(59-80)(60-81)(61-85)(62-89)(63-89)(64-90)(65-90)(66-94)(67-91)(68-91)(69-86)(70-87)(71-92)(72-92)(73-96)(74-75)(74-82)(75-76)(76-83)(77-78)(77-84)(78-79)(79-88)(80-81)(80-85)(81-86)(82-89)(82-93)(83-90)(83-93)(84-91)(84-95)(85-87)(86-87)(88-92)(88-95)(93-99)(94-96)(94-99)(95-100)(96-98)(96-100)(97-102)(98-101)(98-102)(99-103)(100-103)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 3.2 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| BEAS-2B | 12 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HeLa | 12 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| 16HBE | 14 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| A549 | 14 | — | 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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