Info
| ID | 1637 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2c |
| SMILES | Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C59H57ClN11O2RuS/(1-79)(2-97)(3-80)(4-64)(5-86)(6-98)(7-100)(8-77)(9-85)(10-62)(11-71)(12-60)(13-66)(14-74)(15-75)(16-78)(17-76)(18-99)(19-60)(20-65)(21-90)(22-68)(23-63)(24-89)(25-102)(26-86)(27-96)(28-67)(29-81)(30-58)(31-58)(32-59)(33-59)(34-58)(35-59)(36-83)(37-109)(38-84)(39-84)(40-85)(41-60)(42-70)(43-89)(44-102)(45-87)(46-90)(47-88)(48-101)(49-82)(50-72)(51-101)(52-88)(53-87)(54-69)(55-73)(56-118)(57-119)(58-93)(59-114)(60-111)(61-70)(61-95)(62-66)(62-103)(63-64)(63-72)(64-70)(65-66)(65-97)(67-71)(67-96)(68-69)(68-100)(69-73)(71-82)(72-95)(73-104)(74-92)(74-106)(75-76)(75-99)(76-78)(77-92)(77-98)(78-107)(79-80)(79-91)(80-116)(81-83)(81-116)(82-108)(83-91)(84-109)(84-112)(85-86)(85-88)(86-87)(87-90)(88-102)(89-90)(89-101)(91-105)(92-113)(93-94)(93-114)(94-105)(94-115)(95-108)(96-123)(97-124)(98-126)(99-117)(100-125)(101-118)(102-119)(103-104)(103-124)(104-125)(105-127)(106-107)(106-126)(107-117)(108-123)(109-110)(109-127)(110-120)(110-121)(111-120)(111-122)(112-119)(112-129)(113-118)(113-128)(114-130)(115-120)(115-130)(116-131)(121-122)(123-132)(124-132)(125-132)(126-132)(127-132)(130-132)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| cmt167 | 1.1 | — | 10.1002/ange.202505689 | 2025 |
| A549 | 1.6 | — | 10.1002/ange.202505689 | 2025 |
| A549cisR | 6.3 | — | 10.1002/ange.202505689 | 2025 |
| HLF | 53 | — | 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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