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Complex #215 — Ru(2) [12]

2D Structure

Structure
⬇ MOL V3000

Info

ID215
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
Abbreviation12
SMILESO=C(O)c1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C69H47N7O2Ru/(1-50)(2-54)(3-48)(4-51)(5-67)(6-78)(7-59)(8-53)(9-49)(10-103)(11-52)(12-105)(13-56)(14-71)(15-58)(16-62)(17-61)(18-72)(19-74)(20-76)(21-57)(22-80)(23-106)(24-64)(25-63)(26-66)(27-65)(28-68)(29-55)(30-82)(31-69)(32-75)(33-87)(34-84)(35-73)(36-79)(37-77)(38-83)(39-86)(40-81)(41-107)(42-70)(43-88)(44-85)(45-60)(46-104)(47-125)(48-50)(48-59)(49-51)(49-59)(50-91)(51-91)(52-56)(52-96)(53-89)(53-103)(54-67)(54-92)(55-63)(55-96)(56-64)(57-90)(57-105)(58-62)(58-94)(60-87)(60-94)(61-71)(61-104)(62-102)(63-64)(65-66)(65-68)(66-69)(67-93)(68-79)(69-97)(70-77)(70-88)(71-76)(72-74)(72-114)(73-74)(73-75)(75-85)(76-111)(77-83)(78-81)(78-99)(79-97)(80-95)(80-106)(81-100)(82-101)(82-107)(83-98)(84-112)(84-115)(85-114)(86-88)(86-98)(87-102)(89-91)(89-92)(90-93)(90-96)(92-108)(93-109)(94-116)(95-97)(95-99)(98-101)(99-110)(100-101)(100-113)(102-115)(103-119)(104-118)(105-120)(106-121)(107-122)(108-109)(108-119)(109-120)(110-113)(110-121)(111-112)(111-118)(112-123)(113-122)(114-117)(115-117)(116-124)(116-125)(117-123)(118-126)(119-126)(120-126)(121-126)(122-126)(123-126)(125-126)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL60290.5 10.1021/acsomega.0c02079 2020

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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