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Complex #2895 — Ru(2) [RuβC‑3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2895
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
AbbreviationRuβC‑3
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Clc1c[c-]c(-c2nccc3c2[nH]c2ccccc23)cc1

TUCAN

C41H34ClN6Ru/(1-35)(2-49)(3-53)(4-44)(5-51)(6-50)(7-63)(8-64)(9-54)(10-55)(11-65)(12-48)(13-42)(14-43)(15-40)(16-66)(17-46)(18-35)(19-35)(20-47)(21-41)(22-52)(23-67)(24-45)(25-36)(26-36)(27-36)(28-37)(29-37)(30-37)(31-38)(32-38)(33-38)(34-76)(35-56)(36-59)(37-60)(38-62)(39-53)(39-57)(40-48)(40-69)(41-45)(41-75)(42-56)(42-63)(43-59)(43-64)(44-56)(44-70)(45-57)(46-60)(46-65)(47-62)(47-66)(48-50)(49-50)(49-58)(51-59)(51-71)(52-61)(52-67)(53-75)(54-60)(54-73)(55-62)(55-74)(57-68)(58-61)(58-69)(61-72)(63-78)(64-79)(65-80)(66-81)(67-77)(68-72)(68-77)(69-76)(70-71)(70-78)(71-79)(72-76)(73-74)(73-80)(74-81)(75-82)(77-83)(78-83)(79-83)(80-83)(81-83)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa3.2— 10.1007/s00775-021-01894-4 2021
A5493.8— 10.1007/s00775-021-01894-4 2021
NCI-H4605.7— 10.1007/s00775-021-01894-4 2021
BEAS-2B14— 10.1007/s00775-021-01894-4 2021
HepG216— 10.1007/s00775-021-01894-4 2021
MCF-725— 10.1007/s00775-021-01894-4 2021

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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