Info
| ID | 5032 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(N(Cc2cc(CN(c3ccccn3)c3ccccn3)cc(CN(c3ccccn3)c3ccccn3)c2)c2ccccn2)nc1 |
TUCAN
C49H48IrN9/(1-54)(2-89)(3-57)(4-56)(5-89)(6-49)(7-49)(8-49)(9-50)(10-50)(11-55)(12-58)(13-71)(14-90)(15-68)(16-91)(17-60)(18-61)(19-63)(20-66)(21-83)(22-84)(23-67)(24-85)(25-90)(26-87)(27-62)(28-72)(29-73)(30-69)(31-91)(32-74)(33-59)(34-65)(35-70)(36-86)(37-64)(38-88)(39-50)(40-51)(41-51)(42-51)(43-52)(44-52)(45-52)(46-53)(47-53)(48-53)(49-76)(50-77)(51-78)(52-79)(53-80)(54-75)(54-81)(55-56)(55-83)(56-57)(57-92)(58-60)(58-61)(59-62)(59-63)(60-84)(61-93)(62-94)(63-85)(64-75)(64-82)(65-69)(65-72)(66-67)(66-87)(67-68)(68-96)(69-86)(70-74)(70-97)(71-81)(71-82)(72-95)(73-74)(73-88)(75-89)(76-77)(76-78)(77-79)(78-80)(79-80)(81-90)(82-91)(83-98)(84-99)(85-100)(86-101)(87-105)(88-106)(89-102)(90-103)(91-104)(92-98)(92-102)(93-99)(93-102)(94-100)(94-104)(95-101)(95-104)(96-103)(96-105)(97-103)(97-106)(105-107)(106-107)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16-F10 | 11 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
| PC-3 | 13 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
| SK-OV-3 | 15 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
| THP-1 | 19 | — | 10.1016/j.jorganchem.2016.10.0... | 2016 |
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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