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Complex #2049 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2049
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Oc1nc(O)c2nc3c4cccnc4c4ncccc4c3nc2n1

TUCAN

C40H32N10O2Ru/(1-38)(2-37)(3-46)(4-33)(5-55)(6-33)(7-44)(8-33)(9-56)(10-34)(11-40)(12-39)(13-41)(14-34)(15-58)(16-34)(17-35)(18-43)(19-45)(20-35)(21-35)(22-36)(23-42)(24-59)(25-47)(26-57)(27-36)(28-48)(29-60)(30-36)(31-83)(32-84)(33-49)(34-50)(35-51)(36-52)(37-49)(37-55)(38-49)(38-64)(39-50)(39-56)(40-50)(40-66)(41-51)(41-58)(42-47)(42-53)(43-51)(43-67)(44-46)(44-54)(45-52)(45-60)(46-57)(47-59)(48-52)(48-69)(53-62)(53-68)(54-61)(54-63)(55-78)(56-80)(57-73)(58-81)(59-74)(60-82)(61-68)(61-77)(62-63)(62-74)(63-73)(64-66)(64-78)(65-70)(65-71)(65-77)(66-80)(67-69)(67-81)(68-75)(69-82)(70-75)(70-76)(71-79)(71-83)(72-76)(72-79)(72-84)(77-85)(78-85)(79-85)(80-85)(81-85)(82-85)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MG-6315— 10.1039/c5ra00553a 2015
BEL-740218— 10.1039/c5ra00553a 2015
A54919— 10.1039/c5ra00553a 2015
HepG221— 10.1039/c5ra00553a 2015
HeLa21— 10.1039/c5ra00553a 2015

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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