Info
| ID | 2038 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Cl-RubbN16NO2-mono |
| SMILES | Cc1ccnc(-c2cc(C[NH2+]CCCCCCCCCCCCCCCC[NH2+]Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])cc(-c3cc([N+](=O)[O-])ccn3)n2)c1.[Cl-].[Cl-].[Cl-] |
TUCAN
C55H66N12O6Ru/(1-93)(2-67)(3-94)(4-105)(5-96)(6-77)(7-76)(8-75)(9-108)(10-109)(11-83)(12-84)(13-84)(14-83)(15-109)(16-108)(17-103)(18-67)(19-104)(20-94)(21-73)(22-96)(23-67)(24-93)(25-92)(26-74)(27-86)(28-92)(29-78)(30-86)(31-102)(32-90)(33-90)(34-95)(35-95)(36-68)(37-68)(38-107)(39-107)(40-91)(41-91)(42-89)(43-89)(44-80)(45-68)(46-79)(47-69)(48-70)(49-85)(50-101)(51-88)(52-72)(53-106)(54-88)(55-87)(56-71)(57-81)(58-85)(59-82)(60-87)(61-110)(62-110)(63-125)(64-125)(65-126)(66-126)(67-98)(68-100)(69-101)(69-112)(70-111)(70-112)(71-119)(71-121)(72-113)(72-118)(73-100)(73-114)(74-99)(74-115)(75-99)(75-103)(76-98)(76-116)(77-98)(77-104)(78-97)(78-105)(79-100)(79-102)(80-97)(80-117)(81-120)(81-121)(82-106)(82-113)(83-84)(83-109)(84-87)(85-86)(85-88)(86-96)(87-88)(89-90)(89-95)(90-107)(91-93)(91-95)(92-93)(92-94)(94-96)(97-110)(99-108)(101-130)(102-131)(103-132)(104-124)(105-123)(106-133)(107-126)(108-125)(109-125)(110-126)(111-119)(111-130)(112-128)(113-129)(114-117)(114-131)(115-116)(115-132)(116-124)(117-123)(118-120)(118-133)(119-122)(120-122)(121-127)(127-134)(127-138)(128-135)(128-136)(129-137)(129-139)(130-140)(131-140)(132-140)(133-140)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 26 | — | 10.1039/c4nj00545g | 2014 |
| MCF-7 | 27 | — | 10.1039/c4nj00545g | 2014 |
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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