Info
| ID | 6035 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 1 |
| SMILES | Cc1ccnc(-c2cc(COC(=O)N(Cc3ccccn3)Cc3ccccn3)ccn2)c1.Clc1cc(-c2[c-]cccc2)nc2ccccc12.Clc1cc(-c2[c-]cccc2)nc2ccccc12 |
TUCAN
C55H41Cl2IrN7O2/(1-83)(2-48)(3-54)(4-45)(5-46)(6-47)(7-62)(8-53)(9-51)(10-58)(11-67)(12-55)(13-42)(14-83)(15-93)(16-93)(17-70)(18-42)(19-82)(20-56)(21-42)(22-68)(23-69)(24-72)(25-80)(26-84)(27-71)(28-49)(29-81)(30-79)(31-50)(32-60)(33-61)(34-64)(35-66)(36-84)(37-57)(38-63)(39-59)(40-65)(41-52)(42-75)(43-51)(43-73)(44-61)(44-77)(45-49)(45-54)(46-47)(46-55)(47-85)(48-86)(48-95)(49-73)(50-67)(50-88)(51-54)(52-63)(52-77)(53-55)(53-74)(56-75)(56-82)(57-71)(57-87)(58-75)(58-91)(59-78)(59-81)(60-67)(60-68)(61-69)(62-90)(62-96)(63-69)(64-72)(64-92)(65-71)(65-79)(66-72)(66-80)(68-76)(70-78)(70-89)(73-86)(74-85)(74-95)(76-88)(76-96)(77-90)(78-93)(79-97)(80-101)(81-98)(82-102)(83-92)(83-99)(84-87)(84-99)(85-100)(86-100)(87-97)(88-103)(89-91)(89-98)(90-103)(91-102)(92-101)(93-105)(94-99)(94-104)(94-105)(95-106)(96-107)(100-108)(101-108)(102-108)(103-108)(105-108)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 6 | — | 10.1016/j.xcrp.2025.102592 | 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.