Info
| ID | 5626 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | [2]NO3 |
| SMILES | C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)C(C)c4ccc(-c5ccccc5)c(F)c4)ccn3)c2)c(Cl)c1Cl.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C54H52Cl2FIrN2O10/(1-59)(2-69)(3-54)(4-71)(5-73)(6-95)(7-54)(8-54)(9-55)(10-72)(11-61)(12-55)(13-55)(14-59)(15-97)(16-63)(17-56)(18-65)(19-64)(20-96)(21-59)(22-56)(23-56)(24-62)(25-89)(26-57)(27-57)(28-66)(29-53)(30-88)(31-60)(32-74)(33-68)(34-90)(35-60)(36-75)(37-53)(38-75)(39-60)(40-57)(41-95)(42-97)(43-67)(44-58)(45-96)(46-58)(47-58)(48-93)(49-93)(50-94)(51-70)(52-94)(53-81)(54-76)(55-77)(56-78)(57-79)(58-80)(59-88)(60-75)(61-86)(61-89)(62-82)(62-104)(63-64)(63-67)(64-65)(65-84)(66-67)(66-84)(68-71)(68-82)(69-85)(69-90)(70-86)(70-91)(71-83)(72-85)(72-92)(73-74)(73-99)(74-87)(75-81)(76-77)(76-78)(77-79)(78-80)(79-80)(81-98)(82-88)(83-84)(83-104)(85-102)(86-100)(87-98)(87-106)(88-101)(89-107)(90-108)(91-92)(91-107)(92-108)(93-94)(93-115)(94-114)(95-96)(95-116)(96-117)(97-103)(97-118)(98-112)(99-105)(99-118)(100-110)(100-114)(101-109)(101-115)(102-111)(102-116)(103-113)(103-117)(104-119)(105-106)(105-121)(106-120)(107-122)(108-122)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 2.8 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| A2780cisR | 6.4 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| MCF-7 | 8 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| HEK293 | 10 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| HeLa | 17 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
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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