Info
| ID | 912 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | 4b |
| SMILES | CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1/N=C/C=N/[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C40H57N4O16Ru/(1-85)(2-58)(3-64)(4-67)(5-58)(6-63)(7-58)(8-67)(9-59)(10-90)(11-59)(12-83)(13-65)(14-59)(15-81)(16-60)(17-60)(18-66)(19-64)(20-80)(21-66)(22-60)(23-65)(24-82)(25-61)(26-66)(27-81)(28-61)(29-67)(30-61)(31-63)(32-62)(33-65)(34-62)(35-63)(36-62)(37-64)(38-78)(39-68)(40-70)(41-69)(42-69)(43-79)(44-69)(45-87)(46-68)(47-80)(48-84)(49-70)(50-76)(51-68)(52-77)(53-86)(54-91)(55-70)(56-98)(57-99)(58-71)(59-72)(60-73)(61-74)(62-75)(63-92)(64-95)(65-94)(66-88)(67-93)(68-96)(69-89)(70-97)(71-72)(71-73)(72-74)(73-75)(74-75)(76-77)(76-100)(77-101)(78-83)(78-91)(78-98)(79-87)(79-90)(79-99)(80-84)(80-112)(81-85)(81-115)(82-83)(82-84)(82-110)(83-114)(84-113)(85-86)(85-111)(86-87)(86-116)(87-117)(88-98)(88-104)(89-99)(89-109)(90-101)(90-111)(91-100)(91-113)(92-102)(92-115)(93-106)(93-114)(94-105)(94-110)(95-103)(95-112)(96-107)(96-116)(97-108)(97-117)(100-118)(101-118)(116-118)(117-118)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 50 | — | 10.1002/aoc.5896 | 2020 |
| SK-OV-3 | — | — | 10.1002/aoc.5896 | 2020 |
| MDA-MB-231 | — | — | 10.1002/aoc.5896 | 2020 |
| HEK293 | — | — | 10.1002/aoc.5896 | 2020 |
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.