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Complex #1982 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1982
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 2, "P": 1}
Abbreviation1
SMILES[C-]#[O+].[Cl-].[H-].c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C29H23N2OPRu/(1-27)(2-32)(3-24)(4-26)(5-35)(6-25)(7-38)(8-31)(9-41)(10-45)(11-39)(12-30)(13-34)(14-36)(15-33)(16-40)(17-37)(18-46)(19-29)(20-28)(21-43)(22-42)(23-44)(24-26)(24-27)(25-26)(25-32)(27-50)(28-29)(28-47)(29-41)(30-31)(30-34)(31-35)(32-50)(33-36)(33-37)(34-38)(35-51)(36-39)(37-40)(38-51)(39-52)(40-52)(41-45)(42-43)(42-44)(43-48)(44-46)(45-53)(46-54)(47-48)(47-53)(48-54)(49-55)(50-56)(51-56)(52-56)(53-57)(54-57)(56-57)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa84— 10.1016/j.ejmech.2012.11.024 2013
HepG298— 10.1016/j.ejmech.2012.11.024 2013
SK-OV-32e+02— 10.1016/j.ejmech.2012.11.024 2013
HCT-152.2e+02— 10.1016/j.ejmech.2012.11.024 2013
SKMel22.5e+02— 10.1016/j.ejmech.2012.11.024 2013
HEp-26.8e+02— 10.1016/j.ejmech.2012.11.024 2013

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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