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Complex #1017 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID1017
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5, "P": 1, "O": 1}
Abbreviation9
SMILESC1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].Cc1c(C)c(C)c(C)c(C)c1C

TUCAN

C46H73N5O2PRu/(1-74)(2-74)(3-74)(4-75)(5-75)(6-75)(7-76)(8-76)(9-76)(10-79)(11-102)(12-102)(13-99)(14-99)(15-101)(16-101)(17-98)(18-98)(19-88)(20-88)(21-87)(22-87)(23-90)(24-96)(25-95)(26-95)(27-77)(28-77)(29-77)(30-83)(31-82)(32-85)(33-84)(34-86)(35-79)(36-79)(37-80)(38-91)(39-80)(40-80)(41-81)(42-96)(43-93)(44-94)(45-94)(46-93)(47-81)(48-81)(49-78)(50-78)(51-78)(52-97)(53-97)(54-100)(55-100)(56-117)(57-91)(58-92)(59-89)(60-89)(61-90)(62-92)(63-117)(64-118)(65-118)(66-112)(67-112)(68-113)(69-119)(70-119)(71-113)(72-114)(73-114)(74-103)(75-104)(76-105)(77-110)(78-97)(79-107)(80-108)(81-109)(82-83)(82-85)(83-111)(84-85)(84-86)(86-111)(87-88)(87-90)(88-98)(89-90)(89-92)(91-92)(91-94)(93-94)(93-96)(95-96)(95-115)(97-100)(98-102)(99-101)(99-102)(100-101)(103-104)(103-105)(104-107)(105-108)(106-110)(106-115)(106-116)(107-109)(108-109)(110-124)(111-123)(112-120)(112-122)(113-120)(113-121)(114-121)(114-122)(115-125)(116-123)(116-126)(117-120)(117-127)(118-121)(118-127)(119-122)(119-127)(123-124)(124-128)(127-128)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR0.64 10.1021/acs.inorgchem.6b01861 2016
A27800.82 10.1021/acs.inorgchem.6b01861 2016
HEK2931.2 10.1021/acs.inorgchem.6b01861 2016

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.

experimental validation surface
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