Info
| ID | 3966 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2 |
| SMILES | COc1ccc(/C2=C3\CC/C(=C(\c4ccc(OC)cc4)C4=N/C(=C(/c5ccc(OC)cc5)C5CCC(N5)/C(c5ccncc5)=C5/C=CC2=N5)C=C4)N3)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C70H57N9O3Ru/(1-59)(2-121)(3-76)(4-72)(5-60)(6-80)(7-78)(8-58)(9-91)(10-83)(11-66)(12-91)(13-61)(14-63)(15-62)(16-77)(17-90)(18-106)(19-104)(20-109)(21-90)(22-73)(23-67)(24-71)(25-68)(26-70)(27-105)(28-88)(29-120)(30-82)(31-89)(32-88)(33-75)(34-89)(35-123)(36-123)(37-123)(38-122)(39-64)(40-69)(41-124)(42-124)(43-79)(44-122)(45-65)(46-122)(47-107)(48-108)(49-81)(50-87)(51-84)(52-124)(53-74)(54-85)(55-86)(56-129)(57-130)(58-61)(58-92)(59-66)(59-92)(60-82)(60-93)(61-93)(62-85)(62-94)(63-64)(63-94)(64-95)(65-86)(65-95)(66-104)(67-78)(67-112)(68-70)(68-100)(69-74)(69-100)(70-125)(71-76)(71-126)(72-73)(72-114)(73-115)(74-125)(75-77)(75-126)(76-96)(77-96)(78-113)(79-81)(79-101)(80-98)(80-106)(81-127)(82-105)(83-98)(83-109)(84-87)(84-101)(85-107)(86-108)(87-127)(88-89)(88-120)(89-121)(90-91)(90-119)(91-118)(92-110)(93-111)(94-116)(95-117)(96-103)(97-98)(97-113)(97-121)(99-100)(99-115)(99-120)(101-102)(102-114)(102-119)(103-112)(103-118)(104-131)(105-132)(106-136)(107-134)(108-135)(109-136)(110-111)(110-131)(111-132)(112-128)(113-128)(114-133)(115-133)(116-117)(116-134)(117-135)(118-129)(119-129)(120-130)(121-130)(122-138)(123-137)(124-139)(125-138)(126-137)(127-139)(131-140)(132-140)(133-140)(134-140)(135-140)(136-140)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 19 | — | 10.1002/ejic.201000968 | 2011 |
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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