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Complex #1971 — Ru(2) [RDC44]

2D Structure

Structure
⬇ MOL V3000

Info

ID1971
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
AbbreviationRDC44
SMILESNCCCNCCCCNCCCNC(=O)c1ccc(-c2[c-]cccc2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C46H48N9ORu/(1-50)(2-78)(3-79)(4-51)(5-71)(6-71)(7-83)(8-83)(9-54)(10-80)(11-88)(12-88)(13-68)(14-84)(15-87)(16-87)(17-85)(18-68)(19-85)(20-86)(21-70)(22-70)(23-69)(24-69)(25-86)(26-84)(27-53)(28-64)(29-81)(30-57)(31-58)(32-65)(33-82)(34-63)(35-66)(36-52)(37-55)(38-60)(39-59)(40-62)(41-61)(42-56)(43-67)(44-98)(45-96)(46-97)(47-95)(48-95)(49-58)(49-74)(50-51)(50-78)(51-72)(52-55)(52-72)(53-54)(53-79)(54-73)(55-73)(56-67)(56-75)(57-58)(57-61)(59-62)(59-91)(60-61)(60-74)(62-76)(63-64)(63-75)(64-80)(65-66)(65-81)(66-77)(67-77)(68-84)(68-85)(69-70)(69-88)(70-87)(71-83)(71-86)(72-89)(73-90)(74-91)(75-92)(76-82)(76-94)(77-93)(78-99)(79-100)(80-101)(81-102)(82-103)(83-98)(84-95)(85-97)(86-96)(87-97)(88-96)(89-90)(89-99)(90-100)(91-103)(92-93)(92-101)(93-102)(94-98)(94-104)(99-105)(100-105)(101-105)(102-105)(103-105)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A17274— 10.1021/ic500250e 2014
HCT-116—— 10.1039/c1dt10322a 2011

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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