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Complex #4536 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4536
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 5}
Abbreviation2
SMILESCCO/C([O-])=C/C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C38H36N5O5Ru/(1-63)(2-59)(3-41)(4-40)(5-53)(6-42)(7-46)(8-60)(9-38)(10-61)(11-38)(12-62)(13-44)(14-38)(15-63)(16-37)(17-64)(18-48)(19-49)(20-56)(21-37)(22-39)(23-39)(24-54)(25-55)(26-43)(27-45)(28-70)(29-47)(30-39)(31-64)(32-50)(33-51)(34-52)(35-37)(36-70)(37-70)(38-63)(39-64)(40-41)(40-66)(41-42)(42-59)(43-53)(43-67)(44-53)(44-60)(45-54)(45-61)(46-65)(46-72)(47-71)(47-73)(48-49)(48-65)(49-58)(50-54)(50-68)(51-55)(51-62)(52-55)(52-69)(56-57)(56-58)(57-71)(57-74)(58-72)(59-76)(60-77)(61-78)(62-79)(63-75)(64-75)(65-75)(66-68)(66-76)(67-69)(67-77)(68-78)(69-79)(70-83)(71-80)(72-84)(73-81)(73-83)(74-82)(74-84)(76-85)(77-85)(78-85)(79-85)(83-85)(84-85)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
4T12— 10.1039/d1dt01567b 2021
BHK-212.2— 10.1039/d1dt01567b 2021
B16-F102.7— 10.1039/d1dt01567b 2021

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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