Info
| ID | 1635 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2a |
| SMILES | Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C58H57ClN12O2RuS/(1-71)(2-93)(3-60)(4-79)(5-60)(6-82)(7-94)(8-99)(9-100)(10-62)(11-61)(12-72)(13-95)(14-66)(15-76)(16-74)(17-75)(18-96)(19-73)(20-97)(21-63)(22-60)(23-85)(24-85)(25-108)(26-82)(27-99)(28-98)(29-65)(30-81)(31-58)(32-58)(33-59)(34-59)(35-58)(36-59)(37-77)(38-86)(39-100)(40-83)(41-64)(42-78)(43-83)(44-86)(45-68)(46-80)(47-87)(48-88)(49-84)(50-69)(51-67)(52-84)(53-88)(54-87)(55-70)(56-117)(57-118)(58-91)(59-113)(60-110)(61-62)(61-63)(62-101)(63-93)(64-66)(64-102)(65-66)(65-94)(67-68)(67-95)(68-78)(69-70)(69-80)(70-98)(71-79)(71-89)(72-90)(72-105)(73-74)(73-76)(74-104)(75-90)(75-96)(76-97)(77-81)(77-89)(78-106)(79-115)(80-107)(81-115)(82-87)(82-100)(83-84)(83-99)(84-85)(85-86)(86-87)(88-108)(88-112)(89-103)(90-111)(91-92)(91-113)(92-103)(92-114)(93-122)(94-123)(95-124)(96-127)(97-116)(98-125)(99-117)(100-118)(101-106)(101-122)(102-107)(102-123)(103-126)(104-105)(104-116)(105-127)(106-124)(107-125)(108-109)(108-126)(109-119)(109-120)(110-119)(110-121)(111-117)(111-128)(112-118)(112-129)(113-130)(114-119)(114-130)(115-131)(120-121)(122-132)(123-132)(124-132)(125-132)(126-132)(127-132)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| cmt167 | 51 | — | 10.1002/ange.202505689 | 2025 |
| HLF | 62 | — | 10.1002/ange.202505689 | 2025 |
| A549 | 73 | — | 10.1002/ange.202505689 | 2025 |
| A549cisR | — | — | 10.1002/ange.202505689 | 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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