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Complex #190 — Ru(2) [[1c]Cl]

2D Structure

Structure
⬇ MOL V3000

Info

ID190
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation[1c]Cl
SMILESCc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1

TUCAN

C22H23N3Ru/(1-31)(2-29)(3-37)(4-40)(5-25)(6-32)(7-24)(8-27)(9-34)(10-41)(11-30)(12-35)(13-36)(14-28)(15-25)(16-24)(17-25)(18-26)(19-24)(20-26)(21-33)(22-26)(23-46)(24-38)(25-40)(26-40)(27-30)(27-34)(28-29)(28-35)(29-41)(30-42)(31-32)(31-38)(32-39)(33-37)(33-39)(34-36)(35-44)(36-43)(37-38)(39-40)(41-47)(42-43)(42-48)(43-46)(44-45)(44-47)(45-46)(45-48)(47-49)(48-49)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27808.8 10.1039/c6nj02049f 2016
HeLa9.2 10.1039/c6nj02049f 2016
MCF-710 10.1039/c6nj02049f 2016
A278029 10.1021/ic501865h 2014
A278030 10.1021/ic501865h 2014
A2780cisR34 10.1021/ic501865h 2014
MCF-735 10.1016/j.molstruc.2016.01.079 2016
HT-2937 10.1016/j.molstruc.2016.01.079 2016
A54940 10.1016/j.molstruc.2016.01.079 2016
BALB/3T344 10.1016/j.molstruc.2016.01.079 2016
MCF-768 10.1021/ic501865h 2014
MCF-768 10.1021/ic501865h 2014
MRC-598 10.1039/c6nj02049f 2016
MRC-52.2e+02 10.1021/ic501865h 2014

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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