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Complex #4759 — Ru(2) [Ru-3]

2D Structure

Structure
⬇ MOL V3000

Info

ID4759
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu-3
SMILESNC(=S)N1N=C(c2ccc(F)cc2)CC1c1ccc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C38H29FN8RuS/(1-54)(2-31)(3-30)(4-32)(5-37)(6-42)(7-44)(8-48)(9-48)(10-41)(11-65)(12-33)(13-38)(14-56)(15-40)(16-45)(17-36)(18-47)(19-39)(20-43)(21-34)(22-35)(23-55)(24-57)(25-58)(26-46)(27-68)(28-69)(29-68)(30-31)(30-49)(31-54)(32-42)(32-50)(33-38)(33-49)(34-35)(34-56)(35-62)(36-41)(36-66)(37-39)(37-55)(38-50)(39-52)(40-45)(40-52)(41-51)(42-57)(43-44)(43-53)(44-58)(45-53)(46-47)(46-51)(47-66)(48-64)(48-65)(49-59)(50-60)(51-64)(52-61)(53-63)(54-71)(55-72)(56-69)(57-73)(58-74)(59-60)(59-71)(60-73)(61-63)(61-72)(62-65)(62-69)(63-74)(64-75)(65-70)(66-76)(67-68)(67-70)(67-77)(70-75)(71-78)(72-78)(73-78)(74-78)(75-78)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CEM2.2— 10.1016/j.ijbiomac.2015.09.045 2016
Molt4/C82.8— 10.1016/j.ijbiomac.2015.09.045 2016
HL603.6— 10.1016/j.ijbiomac.2015.09.045 2016
BEL-74024.2— 10.1016/j.ijbiomac.2015.09.045 2016
L12108.6— 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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