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Complex #3865 — Ru(2) [5a]

2D Structure

Structure
⬇ MOL V3000

Info

ID3865
MetalRu
Oxidation state2
Charge2
Donor atoms{"P": 2, "N": 4}
Abbreviation5a
SMILESC=C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C48H42N4P2Ru/(1-49)(2-77)(3-78)(4-45)(5-79)(6-47)(7-46)(8-58)(9-57)(10-85)(11-48)(12-44)(13-80)(14-60)(15-52)(16-85)(17-51)(18-59)(19-68)(20-53)(21-50)(22-55)(23-54)(24-56)(25-86)(26-86)(27-43)(28-43)(29-63)(30-64)(31-71)(32-62)(33-70)(34-69)(35-66)(36-65)(37-72)(38-74)(39-61)(40-67)(41-73)(42-75)(43-76)(44-45)(44-81)(45-46)(46-77)(47-49)(47-87)(48-52)(48-87)(49-51)(50-53)(50-88)(51-52)(53-54)(54-56)(55-56)(55-88)(57-58)(57-60)(58-78)(59-61)(59-68)(60-82)(61-83)(62-63)(62-66)(63-89)(64-65)(64-89)(65-66)(67-70)(67-84)(68-79)(69-70)(69-80)(71-74)(71-90)(72-74)(72-75)(73-75)(73-90)(76-85)(76-86)(77-91)(78-92)(79-93)(80-94)(81-82)(81-91)(82-92)(83-84)(83-93)(84-94)(85-95)(86-96)(87-95)(88-95)(89-96)(90-96)(91-97)(92-97)(93-97)(94-97)(95-97)(96-97)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11676 10.1039/c6dt03591d 2016
A529 10.1039/c6dt03591d 2016
K-562 10.1039/c6dt03591d 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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