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Complex #1729 — Ru(2) [5aCym]

2D Structure

Structure
⬇ MOL V3000

Info

ID1729
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
Abbreviation5aCym
SMILESCOc1cc(-c2oc3ccccc3c(=O)c2[O-])cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C28ClO6Ru/(1-16)(2-14)(3-16)(4-10)(4-17)(5-12)(5-15)(6-8)(6-10)(7-18)(7-22)(8-27)(9-13)(9-15)(11-18)(11-24)(12-14)(13-14)(15-16)(17-27)(17-28)(18-26)(19-32)(20-31)(21-33)(22-25)(22-32)(23-26)(23-28)(23-29)(24-25)(24-33)(25-31)(26-34)(27-34)(28-30)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CH1/PA-12.5— 10.1515/medr-2015-0001 2015
SW4809.7— 10.1515/medr-2015-0001 2015
HCT-11614— 10.1021/acs.inorgchem.8b01187 2018
NCI-H46014— 10.1021/acs.inorgchem.8b01187 2018
A54923— 10.1515/medr-2015-0001 2015
SW48030— 10.1021/acs.inorgchem.8b01187 2018
SiHa41— 10.1021/acs.inorgchem.8b01187 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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