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Complex #1316 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1316
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu1
SMILESCc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C42H36N10ORu/(1-59)(2-63)(3-42)(4-58)(5-58)(6-40)(7-64)(8-45)(9-65)(10-41)(11-57)(12-43)(13-37)(14-47)(15-59)(16-48)(17-70)(18-68)(19-69)(20-50)(21-46)(22-44)(23-52)(24-66)(25-37)(26-37)(27-67)(28-56)(29-49)(30-51)(31-54)(32-55)(33-53)(34-79)(35-82)(36-79)(37-60)(38-39)(38-61)(39-58)(40-42)(40-63)(41-42)(41-71)(43-45)(43-51)(44-46)(44-54)(45-64)(46-65)(47-60)(47-70)(48-62)(48-73)(49-56)(49-61)(50-62)(50-68)(51-72)(52-53)(52-66)(53-55)(54-75)(55-76)(56-77)(57-60)(57-74)(58-59)(59-62)(61-67)(63-83)(64-84)(65-85)(66-86)(67-80)(68-81)(69-77)(69-88)(70-87)(71-72)(71-83)(72-84)(73-74)(73-81)(74-87)(75-76)(75-85)(76-86)(77-80)(78-79)(78-82)(78-89)(82-88)(83-90)(84-90)(85-90)(86-90)(87-90)(88-90)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CT-2631— 10.1016/j.jinorgbio.2017.07.00... 2017
A54997— 10.1016/j.jinorgbio.2017.07.00... 2017
A5491.1e+02— 10.1016/j.jinorgbio.2017.07.00... 2017
CT-262e+02— 10.1016/j.jinorgbio.2017.07.00... 2017
A549—— 10.1039/d0mt00019a 2020
PANC-1—— 10.1039/d0mt00019a 2020

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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