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Complex #3364 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3364
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation4
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc2-c2ccccc2)cc1

TUCAN

C60H42N10Ru/(1-43)(2-43)(3-63)(4-83)(5-84)(6-56)(7-51)(8-43)(9-71)(10-62)(11-57)(12-70)(13-44)(14-52)(15-55)(16-44)(17-53)(18-54)(19-44)(20-48)(21-50)(22-60)(23-47)(24-59)(25-49)(26-58)(27-61)(28-68)(29-69)(30-45)(31-64)(32-45)(33-65)(34-67)(35-45)(36-66)(37-46)(38-73)(39-74)(40-46)(41-72)(42-46)(43-87)(44-88)(45-91)(46-101)(47-48)(47-60)(48-75)(49-85)(49-96)(50-59)(50-75)(51-52)(51-87)(52-77)(53-54)(53-88)(54-78)(55-64)(55-77)(56-63)(56-81)(57-62)(57-83)(58-61)(58-76)(59-60)(61-84)(62-80)(63-70)(64-78)(65-67)(65-79)(66-73)(66-79)(67-91)(68-71)(68-81)(69-93)(69-94)(70-71)(72-74)(72-82)(73-82)(74-101)(75-89)(76-86)(76-92)(77-90)(78-99)(79-100)(80-95)(80-98)(81-97)(82-102)(83-103)(84-106)(85-94)(85-108)(86-95)(86-104)(87-107)(88-110)(89-97)(89-108)(90-99)(90-107)(91-111)(92-98)(92-106)(93-96)(93-104)(94-105)(95-109)(96-109)(97-105)(98-103)(99-110)(100-102)(100-111)(101-112)(102-112)(107-113)(108-113)(109-113)(110-113)(111-113)(112-113)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG218— 10.1016/j.ejmech.2016.06.020 2016
MG-6319— 10.1016/j.ejmech.2016.06.020 2016
HeLa20— 10.1016/j.ejmech.2016.06.020 2016
A54920— 10.1016/j.ejmech.2016.06.020 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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