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Complex #4760 — Ru(2) [Ru-4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4760
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu-4
SMILESNC(=S)N1N=C(c2ccc(F)cc2)CC1c1ccc[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C34H29FN8RuS/(1-50)(2-32)(3-33)(4-36)(5-30)(6-51)(7-35)(8-41)(9-31)(10-48)(11-48)(12-46)(13-61)(14-52)(15-53)(16-42)(17-34)(18-39)(19-45)(20-37)(21-38)(22-43)(23-40)(24-44)(25-54)(26-47)(27-64)(28-65)(29-64)(30-32)(30-36)(31-33)(31-41)(32-50)(33-51)(34-35)(34-42)(35-53)(36-56)(37-38)(37-52)(38-57)(39-46)(39-62)(40-43)(40-44)(41-58)(42-59)(43-54)(44-60)(45-47)(45-62)(46-49)(47-49)(48-55)(48-61)(49-55)(50-67)(51-68)(52-65)(53-69)(54-70)(55-71)(56-58)(56-67)(57-61)(57-65)(58-68)(59-60)(59-69)(60-70)(61-66)(62-72)(63-64)(63-66)(63-73)(66-71)(67-74)(68-74)(69-74)(70-74)(71-74)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-74023.8— 10.1016/j.ijbiomac.2015.09.045 2016
CEM4.8— 10.1016/j.ijbiomac.2015.09.045 2016
L12105— 10.1016/j.ijbiomac.2015.09.045 2016
Molt4/C85.2— 10.1016/j.ijbiomac.2015.09.045 2016
HL607.2— 10.1016/j.ijbiomac.2015.09.045 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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