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Complex #3068 — Ru(2) [H1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3068
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1}
AbbreviationH1
SMILESCc1ccc(C(C)C)cc1.S=c1[nH]c2ccccc2s1.[Cl-].[Cl-]

TUCAN

C17Cl2NRuS2/(1-12)(2-13)(3-12)(4-6)(4-16)(5-6)(5-11)(7-8)(7-14)(8-13)(9-10)(9-14)(10-13)(11-15)(12-14)(15-16)(15-18)(16-20)(17-18)(17-19)(17-20)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HaCaT2— 10.1002/chem.201200938 2012
HCT-1162.5— 10.1002/chem.201200938 2012
NCI-H4603— 10.1002/chem.201200938 2012
KB9— 10.1002/chem.201200938 2012
MCF-710— 10.1002/chem.201200938 2012

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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