Info
| ID | 4970 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C46H42Cl2IrN6O/(1-45)(2-48)(3-51)(4-57)(5-63)(6-74)(7-49)(8-58)(9-75)(10-53)(11-59)(12-56)(13-46)(14-70)(15-70)(16-78)(17-78)(18-68)(19-68)(20-61)(21-60)(22-87)(23-69)(24-69)(25-79)(26-87)(27-64)(28-65)(29-66)(30-77)(31-52)(32-47)(33-88)(34-79)(35-88)(36-67)(37-76)(38-50)(39-62)(40-54)(41-55)(42-89)(43-48)(43-71)(44-63)(44-73)(45-49)(45-53)(46-47)(46-71)(47-51)(48-51)(49-74)(50-55)(50-66)(52-54)(52-56)(53-80)(54-84)(55-63)(56-75)(57-58)(57-76)(58-59)(59-81)(60-61)(60-72)(61-83)(62-77)(62-85)(64-67)(64-83)(65-82)(65-85)(66-73)(67-72)(68-69)(68-70)(69-86)(70-72)(71-80)(73-84)(74-91)(75-92)(76-94)(77-93)(78-87)(78-90)(79-88)(79-90)(80-91)(81-82)(81-94)(82-93)(83-90)(84-92)(85-89)(86-89)(86-95)(87-96)(88-97)(91-98)(92-98)(93-98)(94-98)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 4.9 | — | 10.1002/ange.202013987 | 2021 |
| A549cisR | 5 | — | 10.1002/ange.202013987 | 2021 |
| Lewis lung carcinoma | 7.5 | — | 10.1002/ange.202013987 | 2021 |
| MDA-MB-231 | 7.7 | — | 10.1002/ange.202013987 | 2021 |
| BEAS-2B | 13 | — | 10.1002/ange.202013987 | 2021 |
| HLF | 14 | — | 10.1002/ange.202013987 | 2021 |
| CT-26 | 54 | — | 10.1002/ange.202013987 | 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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