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Complex #1199 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1199
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu1
SMILESClc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1

TUCAN

C35H35ClN12Ru/(1-65)(2-51)(3-47)(4-52)(5-54)(6-53)(7-55)(8-47)(9-66)(10-47)(11-48)(12-36)(13-37)(14-48)(15-56)(16-48)(17-40)(18-58)(19-41)(20-49)(21-67)(22-49)(23-49)(24-60)(25-57)(26-50)(27-50)(28-42)(29-38)(30-68)(31-59)(32-50)(33-43)(34-39)(35-72)(36-37)(36-44)(37-70)(38-39)(38-45)(39-58)(40-41)(40-70)(41-44)(42-43)(42-60)(43-46)(44-69)(45-62)(45-63)(46-61)(46-64)(47-73)(48-74)(49-75)(50-76)(51-54)(51-77)(52-55)(52-78)(53-56)(53-80)(54-73)(55-74)(56-75)(57-59)(57-82)(58-71)(59-76)(60-81)(61-62)(61-79)(62-72)(63-64)(63-71)(64-81)(65-73)(65-77)(66-74)(66-78)(67-75)(67-80)(68-76)(68-82)(69-72)(69-79)(70-83)(77-84)(78-84)(79-84)(80-84)(81-84)(82-84)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54918— 10.1016/j.jinorgbio.2015.12.01... 2016
HeLa27— 10.1016/j.jinorgbio.2015.12.01... 2016
HepG229— 10.1016/j.jinorgbio.2015.12.01... 2016
MCF-734— 10.1016/j.jinorgbio.2015.12.01... 2016
HBE—— 10.1016/j.jinorgbio.2015.12.01... 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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