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Complex #130 — Ru(2) [14]

2D Structure

Structure
⬇ MOL V3000

Info

ID130
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
Abbreviation14
SMILESCc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[Cl-]

TUCAN

C25Cl2O3Ru/(1-16)(2-18)(3-16)(4-6)(4-17)(5-7)(5-22)(6-25)(7-11)(8-12)(8-25)(9-10)(9-18)(10-19)(11-15)(12-17)(13-14)(13-19)(14-18)(15-20)(16-19)(17-21)(20-22)(20-24)(21-23)(21-28)(22-28)(23-24)(23-26)(24-27)(25-30)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CH-10.86 10.1021/jm301376a 2012
CH-10.86 10.1039/C2CC31040F 2012
56373.3 10.1021/jm301376a 2012
SW4803.8 10.1021/jm301376a 2012
SW4803.8 10.1039/C2CC31040F 2012
A5499.5 10.1021/jm301376a 2012
A5499.5 10.1039/C2CC31040F 2012
LCLC-103H13 10.1021/jm301376a 2012
DAN-G19 10.1021/jm301376a 2012
A54927 10.1002/cmdc.202400313 2024
MRC-5 10.1002/cmdc.202400313 2024

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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