Info
| ID | 6026 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2 |
| SMILES | CCSc1nnc(SCCNC(=O)c2ccnc(-c3cc(C)ccn3)c2)nn1.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12 |
TUCAN
C52H43IrN9O5S2/(1-68)(2-53)(3-58)(4-51)(5-50)(6-63)(7-48)(8-54)(9-87)(10-44)(11-60)(12-87)(13-79)(14-69)(15-44)(16-62)(17-92)(18-45)(19-44)(20-45)(21-45)(22-55)(23-67)(24-66)(25-87)(26-61)(27-56)(28-88)(29-57)(30-80)(31-80)(32-49)(33-59)(34-52)(35-88)(36-65)(37-78)(38-88)(39-64)(40-93)(41-93)(42-92)(43-98)(44-72)(45-92)(46-51)(46-74)(47-61)(47-76)(48-57)(48-74)(49-55)(49-81)(50-53)(50-70)(51-63)(52-66)(52-82)(53-55)(54-60)(54-71)(56-75)(56-84)(57-63)(58-73)(58-83)(59-64)(59-67)(60-66)(61-64)(62-72)(62-86)(65-77)(65-85)(67-76)(68-72)(68-78)(69-75)(69-79)(70-73)(70-81)(71-77)(71-82)(73-90)(74-83)(75-89)(76-85)(77-91)(78-96)(79-97)(80-93)(80-98)(81-101)(82-102)(83-101)(84-86)(84-97)(85-102)(86-96)(87-108)(88-109)(89-98)(89-107)(90-105)(90-108)(91-106)(91-109)(92-110)(93-111)(94-99)(94-104)(94-110)(95-100)(95-103)(95-111)(99-100)(101-112)(102-112)(103-104)(103-112)(104-112)(110-112)(111-112)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| U-87 MG | 11 | 0.08 | 10.1039/d4cb00316k | 2025 |
| HEK293 | 12 | 0.09 | 10.1039/d4cb00316k | 2025 |
| MCF-7 | 15 | 0.1 | 10.1039/d4cb00316k | 2025 |
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.