Info
| ID | 5137 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C51H53IrN6O2/(1-74)(2-54)(3-65)(4-54)(5-76)(6-93)(7-54)(8-63)(9-55)(10-55)(11-64)(12-55)(13-56)(14-68)(15-59)(16-77)(17-59)(18-67)(19-56)(20-69)(21-59)(22-75)(23-93)(24-94)(25-56)(26-57)(27-57)(28-57)(29-66)(30-60)(31-90)(32-94)(33-60)(34-58)(35-58)(36-58)(37-60)(38-61)(39-91)(40-95)(41-61)(42-61)(43-62)(44-62)(45-70)(46-73)(47-95)(48-72)(49-62)(50-71)(51-96)(52-92)(53-96)(54-78)(55-79)(56-80)(57-81)(58-82)(59-93)(60-94)(61-95)(62-96)(63-64)(63-71)(64-83)(65-68)(65-84)(66-70)(66-90)(67-69)(67-85)(68-99)(69-91)(70-88)(71-72)(72-87)(73-86)(73-88)(74-99)(74-102)(75-100)(75-103)(76-77)(76-89)(77-100)(78-79)(78-80)(79-81)(80-82)(81-82)(83-87)(83-101)(84-101)(84-102)(85-86)(85-97)(86-92)(87-104)(88-98)(89-101)(89-103)(90-109)(91-105)(92-110)(93-106)(94-106)(95-107)(96-107)(97-98)(97-105)(98-109)(99-106)(100-107)(101-108)(102-112)(103-112)(104-108)(104-111)(108-110)(109-113)(110-113)(112-113)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3 | — | 10.1039/c8qi00620b | 2018 |
| A549 | 3.8 | — | 10.1039/c8qi00620b | 2018 |
| BEAS-2B | 4.4 | — | 10.1039/c8qi00620b | 2018 |
| 16HBE | 10 | — | 10.1039/c8qi00620b | 2018 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.