home← all complexes Ir builderC^N familiesD-MPNN

Complex #1198 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1198
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation3
SMILESCc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(/C=N/N3C(=O)C4=CC=CC5C(N6CCCC6)=CC=C(C3=O)C45)ccn2)c1.[Cl-]

TUCAN

C38H39N5O2Ru/(1-43)(2-55)(3-49)(4-41)(5-40)(6-40)(7-67)(8-47)(9-43)(10-46)(11-66)(12-57)(13-57)(14-43)(15-65)(16-53)(17-51)(18-58)(19-68)(20-56)(21-44)(22-58)(23-52)(24-71)(25-71)(26-70)(27-72)(28-45)(29-69)(30-50)(31-72)(32-41)(33-48)(34-41)(35-40)(36-42)(37-54)(38-42)(39-42)(40-59)(41-67)(42-67)(43-63)(44-50)(44-62)(45-63)(45-73)(46-50)(46-65)(47-49)(47-59)(48-54)(48-59)(49-61)(51-52)(51-60)(52-74)(53-64)(53-68)(54-61)(55-64)(55-75)(56-63)(56-70)(57-58)(57-71)(58-72)(60-66)(60-76)(61-67)(62-66)(62-77)(64-69)(65-66)(65-74)(68-78)(69-82)(70-81)(71-79)(72-79)(73-75)(73-81)(74-79)(75-78)(76-80)(76-83)(77-80)(77-84)(80-82)(81-85)(82-85)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—— 10.1016/j.ejmech.2019.111599 2019
HeLa—— 10.1016/j.ejmech.2019.111599 2019
HepG2—— 10.1016/j.ejmech.2019.111599 2019
BEAS-2B—— 10.1016/j.ejmech.2019.111599 2019

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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