Info
| ID | 5224 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir3 |
| 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-](-c2ccccc2)c1C |
TUCAN
C45H60IrN2O2/(1-81)(2-61)(3-82)(4-61)(5-83)(6-64)(7-61)(8-63)(9-62)(10-63)(11-64)(12-96)(13-62)(14-62)(15-75)(16-76)(17-84)(18-64)(19-85)(20-63)(21-71)(22-71)(23-77)(24-65)(25-71)(26-65)(27-65)(28-68)(29-68)(30-68)(31-69)(32-98)(33-72)(34-69)(35-104)(36-104)(37-69)(38-70)(39-70)(40-70)(41-72)(42-72)(43-104)(44-73)(45-99)(46-73)(47-78)(48-73)(49-66)(50-97)(51-66)(52-66)(53-67)(54-67)(55-67)(56-79)(57-74)(58-74)(59-74)(60-80)(61-89)(62-87)(63-93)(64-96)(65-96)(66-97)(67-97)(68-101)(69-98)(70-98)(71-94)(72-103)(73-99)(74-99)(75-76)(75-90)(76-77)(77-91)(78-79)(78-92)(79-80)(80-95)(81-82)(81-83)(82-84)(83-85)(84-86)(85-86)(86-88)(87-89)(87-94)(88-89)(88-93)(90-96)(90-100)(91-97)(91-100)(92-98)(92-102)(93-94)(95-99)(95-102)(100-106)(101-103)(101-106)(102-107)(103-105)(103-107)(104-109)(105-108)(105-109)(106-110)(107-110)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 3 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| BEAS-2B | 3.4 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HepG2 | 3.8 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HeLa | 4.2 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| 16HBE | 4.7 | — | 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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