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Complex #170 — Ru(2) [4a]

2D Structure

Structure
⬇ MOL V3000

Info

ID170
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation4a
SMILESC(=Nc1ccccn1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C21H23N3Ru/(1-25)(2-28)(3-25)(4-24)(5-24)(6-25)(7-27)(8-26)(9-24)(10-26)(11-26)(12-41)(13-42)(14-34)(15-36)(16-33)(17-35)(18-29)(19-32)(20-31)(21-39)(22-40)(23-30)(24-38)(25-39)(26-39)(27-28)(27-37)(28-38)(29-30)(29-36)(30-43)(31-32)(31-37)(32-38)(33-34)(33-42)(34-35)(35-44)(36-41)(37-39)(40-43)(40-46)(41-45)(42-47)(43-45)(44-46)(44-47)(46-48)(47-48)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-723 10.1016/j.bmcl.2016.04.005 2016
HeLa26 10.1016/j.bmcl.2016.04.005 2016

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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