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Complex #3536 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3536
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C(NC(=S)NC1c2ccccc2C=Cc2ccccc21)c1ccccc1.[Cl-].[Cl-]

TUCAN

C33Cl2N2ORuS/(1-24)(2-29)(3-29)(4-12)(4-23)(5-14)(5-23)(6-15)(6-24)(7-8)(7-9)(8-10)(9-22)(10-26)(11-17)(11-25)(12-17)(13-21)(13-30)(14-28)(15-27)(16-18)(16-28)(18-21)(19-20)(19-27)(20-24)(22-26)(23-25)(25-31)(26-32)(27-29)(28-30)(30-31)(31-35)(32-34)(32-36)(33-34)(33-35)(33-37)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa47— 10.1016/j.poly.2018.06.035 2018
MCF-748— 10.1016/j.poly.2018.06.035 2018
A54953— 10.1016/j.poly.2018.06.035 2018
HEK29365— 10.1016/j.poly.2018.06.035 2018

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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