Info
| ID | 3564 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | ole-Ru |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CNC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)ccn2)c1.[Cl-] |
TUCAN
C52H73N3O2Ru/(1-81)(2-101)(3-78)(4-78)(5-83)(6-91)(7-120)(8-78)(9-79)(10-74)(11-74)(12-92)(13-124)(14-79)(15-75)(16-95)(17-80)(18-80)(19-112)(20-83)(21-80)(22-95)(23-100)(24-119)(25-75)(26-82)(27-96)(28-110)(29-121)(30-121)(31-102)(32-83)(33-84)(34-79)(35-89)(36-84)(37-97)(38-111)(39-101)(40-100)(41-90)(42-99)(43-103)(44-103)(45-84)(46-96)(47-82)(48-99)(49-94)(50-97)(51-94)(52-82)(53-102)(54-98)(55-75)(56-93)(57-98)(58-81)(59-76)(60-76)(61-109)(62-87)(63-85)(64-74)(65-76)(66-77)(67-77)(68-81)(69-86)(70-88)(71-77)(72-126)(73-130)(74-104)(75-117)(76-109)(77-109)(78-118)(79-118)(80-114)(81-108)(82-116)(83-113)(84-113)(85-87)(85-104)(86-88)(86-104)(87-105)(88-105)(89-96)(89-107)(90-108)(90-123)(91-106)(91-122)(92-108)(92-120)(93-106)(93-119)(94-103)(94-115)(95-100)(95-115)(96-111)(97-99)(97-110)(98-112)(98-118)(99-117)(100-114)(101-102)(101-124)(102-116)(103-118)(105-109)(106-121)(107-112)(107-114)(110-113)(110-116)(111-116)(111-117)(112-115)(113-124)(114-117)(115-125)(119-127)(120-128)(121-126)(122-123)(122-127)(123-128)(124-130)(125-126)(125-129)(127-131)(128-131)(130-131)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NB4 | 3 | — | 10.1016/j.jinorgbio.2025.11295... | 2025 |
| A2780 | 7.2 | — | 10.1016/j.jinorgbio.2025.11295... | 2025 |
| MCF-7 | 8.6 | — | 10.1016/j.jinorgbio.2025.11295... | 2025 |
| HLF | 15 | — | 10.1016/j.jinorgbio.2025.11295... | 2025 |
| A549 | 18 | — | 10.1016/j.jinorgbio.2025.11295... | 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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