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Complex #1653 — Ru(2) [SCV45]

2D Structure

Structure
⬇ MOL V3000

Info

ID1653
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationSCV45
SMILESCC1=C/C(=C(\C#N)c2ccnc(-c3cc(C)ccn3)c2)Oc2c1cc1c3c2CCCN3CCC1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C49H42N8ORu/(1-44)(2-46)(3-81)(4-75)(5-76)(6-66)(7-44)(8-82)(9-77)(10-45)(11-78)(12-63)(13-47)(14-49)(15-57)(16-43)(17-44)(18-60)(19-79)(20-62)(21-82)(22-55)(23-66)(24-65)(25-61)(26-64)(27-48)(28-50)(29-52)(30-53)(31-43)(32-43)(33-64)(34-80)(35-65)(36-81)(37-56)(38-63)(39-51)(40-58)(41-54)(42-59)(43-68)(44-72)(45-46)(45-75)(46-50)(47-48)(47-76)(48-51)(49-52)(49-77)(50-83)(51-84)(52-54)(53-58)(53-78)(54-86)(55-69)(55-71)(56-72)(56-80)(57-68)(57-90)(58-59)(59-87)(60-72)(60-88)(61-73)(61-89)(62-73)(62-79)(63-64)(63-70)(64-82)(65-66)(65-81)(66-71)(67-73)(67-74)(67-90)(68-69)(69-91)(70-85)(70-91)(71-85)(74-92)(75-94)(76-95)(77-96)(78-97)(79-98)(80-99)(81-93)(82-93)(83-84)(83-94)(84-95)(85-93)(86-87)(86-96)(87-97)(88-89)(88-99)(89-98)(90-100)(91-100)(94-101)(95-101)(96-101)(97-101)(98-101)(99-101)(100-101)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CT-26—0.033 10.1021/jacs.4c15036 2025
CT-26—0.076 10.1021/jacs.4c15036 2025
CT-26—0.12 10.1021/jacs.4c15036 2025
CT-26—0.12 10.1021/jacs.4c15036 2025
CT-26—1.1 10.1021/jacs.4c15036 2025
CT-26—33 10.1021/jacs.4c15036 2025

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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