Info
| ID | 5225 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir4 |
| 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-](-c2ccc(-c3ccccc3)cc2)c1C |
TUCAN
C51H64IrN2O2/(1-82)(2-66)(3-90)(4-66)(5-79)(6-66)(7-81)(8-74)(9-91)(10-67)(11-67)(12-65)(13-89)(14-67)(15-68)(16-80)(17-68)(18-93)(19-92)(20-65)(21-74)(22-68)(23-106)(24-65)(25-74)(26-83)(27-84)(28-69)(29-69)(30-69)(31-72)(32-108)(33-76)(34-107)(35-114)(36-114)(37-72)(38-72)(39-73)(40-71)(41-76)(42-76)(43-114)(44-71)(45-73)(46-73)(47-77)(48-71)(49-70)(50-70)(51-75)(52-70)(53-75)(54-75)(55-85)(56-77)(57-109)(58-87)(59-77)(60-78)(61-78)(62-86)(63-88)(64-78)(65-101)(66-94)(67-106)(68-106)(69-107)(70-107)(71-111)(72-108)(73-108)(74-98)(75-102)(76-113)(77-109)(78-109)(79-80)(79-82)(80-81)(81-92)(82-99)(83-84)(83-95)(84-85)(85-96)(86-87)(86-97)(87-88)(88-105)(89-90)(89-100)(90-104)(91-93)(91-104)(92-99)(93-100)(94-101)(94-103)(95-106)(95-110)(96-107)(96-110)(97-108)(97-112)(98-102)(98-103)(99-104)(100-103)(101-102)(105-109)(105-112)(110-116)(111-113)(111-116)(112-117)(113-115)(113-117)(114-119)(115-118)(115-119)(116-120)(117-120)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3.1 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| BEAS-2B | 3.5 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| 16HBE | 4.8 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| A549 | 5.6 | — | 10.1021/acs.inorgchem.9b00282 | 2019 |
| HepG2 | 5.8 | — | 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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