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Complex #4503 — Ru(2) [Ru6]

2D Structure

Structure
⬇ MOL V3000

Info

ID4503
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu6
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12

TUCAN

C62H42N8Ru/(1-44)(2-45)(3-90)(4-59)(5-91)(6-65)(7-49)(8-95)(9-56)(10-46)(11-68)(12-93)(13-47)(14-52)(15-64)(16-53)(17-96)(18-54)(19-61)(20-55)(21-63)(22-72)(23-58)(24-66)(25-67)(26-43)(27-60)(28-75)(29-62)(30-48)(31-74)(32-92)(33-50)(34-51)(35-69)(36-94)(37-70)(38-73)(39-71)(40-57)(41-106)(42-105)(43-50)(43-79)(44-45)(44-59)(45-76)(46-47)(46-76)(47-59)(48-77)(48-92)(49-82)(49-90)(50-81)(51-57)(51-87)(52-53)(52-65)(53-80)(54-55)(54-80)(55-65)(56-84)(56-91)(57-89)(58-61)(58-68)(60-62)(60-78)(61-83)(62-75)(63-66)(63-83)(64-86)(64-93)(66-68)(67-69)(67-72)(69-85)(70-73)(70-85)(71-88)(71-94)(72-73)(74-75)(74-97)(76-82)(77-78)(77-101)(78-97)(79-82)(79-98)(80-84)(81-84)(81-100)(83-86)(85-88)(86-87)(87-102)(88-89)(89-103)(90-107)(91-109)(92-108)(93-110)(94-112)(95-96)(95-106)(96-111)(97-105)(98-100)(98-107)(99-101)(99-104)(99-108)(100-109)(101-105)(102-103)(102-110)(103-112)(104-106)(104-111)(107-113)(108-113)(109-113)(110-113)(111-113)(112-113)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.9— 10.1093/nsr/nwae234 2024
A549cisR1.4— 10.1093/nsr/nwae234 2024
HeLa1.5— 10.1093/nsr/nwae234 2024
U-87 MG1.5— 10.1093/nsr/nwae234 2024
PC-31.6— 10.1093/nsr/nwae234 2024
A5493.2— 10.1093/nsr/nwae234 2024
HLF3.9— 10.1093/nsr/nwae234 2024

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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