Info
| ID | 3000 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2 |
| SMILES | O=C(CCCCC1SCC2NC(=O)NC21)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C53H43N11O2RuS/(1-47)(2-57)(3-58)(4-75)(5-44)(6-76)(7-61)(8-45)(9-80)(10-46)(11-48)(12-59)(13-52)(14-91)(15-62)(16-64)(17-64)(18-65)(19-65)(20-77)(21-49)(22-78)(23-90)(24-66)(25-66)(26-95)(27-55)(28-53)(29-50)(30-56)(31-79)(32-54)(33-95)(34-67)(35-67)(36-96)(37-60)(38-63)(39-51)(40-98)(41-100)(42-101)(43-99)(44-47)(44-75)(45-46)(45-68)(46-69)(47-68)(48-52)(48-76)(49-51)(49-70)(50-53)(50-78)(51-74)(52-69)(53-70)(54-63)(54-74)(55-56)(55-77)(56-71)(57-58)(57-89)(58-73)(59-60)(59-89)(60-73)(61-62)(61-72)(62-80)(63-79)(64-65)(64-67)(65-93)(66-67)(66-96)(68-81)(69-82)(70-87)(71-83)(71-86)(72-84)(72-85)(73-92)(74-88)(75-102)(76-103)(77-105)(78-106)(79-107)(80-97)(81-82)(81-102)(82-103)(83-84)(83-104)(84-98)(85-86)(85-97)(86-105)(87-88)(87-106)(88-107)(89-100)(90-91)(90-95)(90-99)(91-96)(91-101)(92-98)(92-104)(93-100)(93-109)(94-99)(94-101)(94-108)(95-110)(96-110)(102-111)(103-111)(104-111)(105-111)(106-111)(107-111)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 0.3 | 10.1016/j.ejmech.2023.115985 | 2024 |
| MDA-MB-231 | — | 0.75 | 10.1016/j.ejmech.2023.115985 | 2024 |
| MCF-7 | — | 0.89 | 10.1016/j.ejmech.2023.115985 | 2024 |
| BHK | — | 3.2 | 10.1016/j.ejmech.2023.115985 | 2024 |
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.