Info
| ID | 5499 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 1 |
| SMILES | CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C60H52IrN8O2/(1-53)(2-96)(3-63)(4-100)(5-53)(6-75)(7-70)(8-66)(9-53)(10-97)(11-78)(12-55)(13-55)(14-98)(15-64)(16-67)(17-60)(18-62)(19-76)(20-56)(21-65)(22-80)(23-74)(24-72)(25-56)(26-61)(27-101)(28-55)(29-101)(30-57)(31-57)(32-54)(33-54)(34-102)(35-57)(36-83)(37-99)(38-84)(39-56)(40-68)(41-77)(42-71)(43-54)(44-102)(45-79)(46-85)(47-82)(48-73)(49-69)(50-81)(51-114)(52-115)(53-88)(54-90)(55-101)(56-89)(57-102)(58-63)(58-86)(59-64)(59-87)(60-63)(60-69)(61-64)(61-81)(62-65)(62-66)(65-103)(66-96)(67-76)(67-97)(68-69)(68-86)(70-88)(70-91)(71-90)(71-92)(72-105)(72-110)(73-89)(73-107)(74-95)(74-106)(75-95)(75-100)(76-80)(77-81)(77-87)(78-83)(78-93)(79-83)(79-84)(80-104)(82-108)(82-111)(84-94)(85-89)(85-99)(86-103)(87-104)(88-105)(90-108)(91-109)(91-110)(92-109)(92-111)(93-94)(93-112)(94-109)(95-98)(96-117)(97-118)(98-120)(99-113)(100-119)(101-114)(102-115)(103-117)(104-118)(105-114)(106-107)(106-119)(107-113)(108-115)(109-116)(110-122)(111-122)(112-116)(112-121)(116-120)(117-123)(118-123)(119-123)(120-123)(122-123)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 16HBE | 3.9 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| HepG2 | 4.8 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| HeLa | 8.7 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| A549 | 10 | — | 10.1016/j.dyepig.2018.10.019 | 2019 |
| BEAS-2B | 12 | — | 10.1016/j.dyepig.2018.10.019 | 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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