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Complex #3388 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID3388
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESCOc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H30N8O2Ru/(1-31)(2-55)(3-34)(4-46)(5-56)(6-38)(7-39)(8-41)(9-48)(10-58)(11-72)(12-42)(13-72)(14-72)(15-37)(16-32)(17-57)(18-71)(19-71)(20-59)(21-33)(22-35)(23-36)(24-40)(25-43)(26-71)(27-47)(28-45)(29-44)(30-60)(31-34)(31-55)(32-33)(32-49)(33-50)(34-49)(35-36)(35-51)(36-53)(37-38)(37-50)(38-56)(39-40)(39-58)(40-51)(41-44)(41-60)(42-47)(42-73)(43-45)(43-59)(44-53)(45-54)(46-48)(46-52)(47-74)(48-57)(49-61)(50-62)(51-68)(52-65)(52-69)(53-70)(54-64)(54-66)(55-77)(56-78)(57-76)(58-81)(59-80)(60-82)(61-62)(61-77)(62-78)(63-67)(63-73)(63-75)(64-65)(64-80)(65-76)(66-69)(66-79)(67-74)(67-79)(68-70)(68-81)(69-75)(70-82)(71-83)(72-84)(73-84)(74-83)(77-85)(78-85)(79-85)(80-85)(81-85)(82-85)(83-85)(84-85)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740218 10.1016/j.jinorgbio.2014.09.00... 2014
MG-6319 10.1016/j.jinorgbio.2014.09.00... 2014
HeLa60 10.1016/j.jinorgbio.2014.09.00... 2014
HepG2 10.1016/j.jinorgbio.2014.09.00... 2014
A549 10.1016/j.jinorgbio.2014.09.00... 2014

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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