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Complex #3357 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3357
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
AbbreviationRu1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1nccc2c1[nH]c1ccccc12

TUCAN

C41H35N6Ru/(1-66)(2-54)(3-44)(4-42)(5-45)(6-41)(7-36)(8-36)(9-36)(10-43)(11-50)(12-49)(13-37)(14-37)(15-46)(16-52)(17-37)(18-38)(19-38)(20-56)(21-65)(22-55)(23-57)(24-53)(25-67)(26-47)(27-38)(28-39)(29-48)(30-51)(31-68)(32-39)(33-39)(34-69)(35-77)(36-58)(37-59)(38-61)(39-64)(40-49)(40-60)(41-43)(41-54)(42-44)(42-50)(43-74)(44-60)(45-58)(45-66)(46-58)(46-70)(47-61)(47-67)(48-59)(48-68)(49-50)(51-64)(51-69)(52-59)(52-71)(53-63)(53-65)(54-55)(55-62)(56-61)(56-72)(57-64)(57-75)(60-73)(62-63)(62-74)(63-76)(65-79)(66-78)(67-80)(68-81)(69-82)(70-71)(70-78)(71-81)(72-75)(72-80)(73-76)(73-79)(74-77)(75-82)(76-77)(78-83)(79-83)(80-83)(81-83)(82-83)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa1.9— 10.1016/j.ejmech.2017.09.007 2017
A5492.2— 10.1016/j.ejmech.2017.09.007 2017
NCI-H4603.8— 10.1016/j.ejmech.2017.09.007 2017
HepG210— 10.1016/j.ejmech.2017.09.007 2017
BEAS-2B11— 10.1016/j.ejmech.2017.09.007 2017
MCF-717— 10.1016/j.ejmech.2017.09.007 2017

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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