Info
| ID | 1178 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1 |
TUCAN
C54H78N12Ru/(1-109)(2-79)(3-109)(4-79)(5-110)(6-79)(7-91)(8-92)(9-110)(10-94)(11-111)(12-111)(13-80)(14-80)(15-103)(16-104)(17-112)(18-95)(19-105)(20-80)(21-112)(22-113)(23-113)(24-93)(25-81)(26-81)(27-114)(28-106)(29-114)(30-81)(31-82)(32-115)(33-115)(34-82)(35-82)(36-116)(37-116)(38-83)(39-117)(40-99)(41-83)(42-83)(43-117)(44-118)(45-96)(46-97)(47-107)(48-98)(49-118)(50-84)(51-119)(52-100)(53-84)(54-84)(55-85)(56-85)(57-85)(58-86)(59-86)(60-101)(61-108)(62-86)(63-102)(64-119)(65-87)(66-87)(67-87)(68-88)(69-88)(70-120)(71-88)(72-89)(73-89)(74-89)(75-90)(76-90)(77-120)(78-90)(79-109)(80-110)(81-111)(82-112)(83-113)(84-114)(85-115)(86-116)(87-117)(88-118)(89-119)(90-120)(91-121)(91-122)(92-123)(92-124)(93-103)(93-122)(94-125)(94-127)(95-126)(95-128)(96-104)(96-123)(97-105)(97-125)(98-106)(98-126)(99-129)(99-130)(100-131)(100-132)(101-107)(101-129)(102-108)(102-132)(103-139)(104-140)(105-141)(106-142)(107-143)(108-144)(109-133)(110-133)(111-134)(112-134)(113-135)(114-135)(115-136)(116-136)(117-137)(118-137)(119-138)(120-138)(121-124)(121-139)(122-133)(123-134)(124-140)(125-135)(126-136)(127-128)(127-141)(128-142)(129-137)(130-131)(130-143)(131-144)(132-138)(139-145)(140-145)(141-145)(142-145)(143-145)(144-145)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 3.5 | — | 10.1039/c8dt02914h | 2018 |
| A2780 | — | — | 10.1002/cbic.200900013 | 2009 |
| A2780cisR | — | — | 10.1002/cbic.200900013 | 2009 |
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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