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Complex #464 — Ru(2) [RuPhen]

2D Structure

Structure
⬇ MOL V3000

Info

ID464
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
AbbreviationRuPhen
SMILESCc1ccc(C(C)C)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12

TUCAN

C22H22N2Ru/(1-28)(2-41)(3-27)(4-23)(5-23)(6-24)(7-23)(8-32)(9-42)(10-33)(11-26)(12-35)(13-31)(14-34)(15-24)(16-24)(17-25)(18-29)(19-30)(20-40)(21-25)(22-25)(23-37)(24-40)(25-40)(26-33)(26-41)(27-28)(27-37)(28-38)(29-30)(29-38)(30-37)(31-35)(31-42)(32-34)(32-36)(33-36)(34-39)(35-39)(36-43)(38-40)(39-44)(41-45)(42-46)(43-44)(43-45)(44-46)(45-47)(46-47)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278011— 10.1039/d1dt00808k 2021
HeLa12— 10.1016/j.jinorgbio.2020.11109... 2020
MCF-714— 10.1016/j.jinorgbio.2020.11109... 2020
A278023— 10.1007/s00775-012-0917-9 2012
MES-SA24— 10.1039/d1dt00808k 2021
A54965— 10.1007/s00775-021-01873-9 2021
B16-F1071— 10.1007/s00775-021-01873-9 2021
MCF-775— 10.1007/s00775-021-01873-9 2021
U37399— 10.1007/s00775-021-01873-9 2021
HEK2931.3e+02— 10.1016/j.jinorgbio.2020.11109... 2020
A549—— 10.1016/j.jinorgbio.2015.07.01... 2015
MDA-MB-231—— 10.1016/j.jinorgbio.2015.07.01... 2015
MCF-7—— 10.1016/j.jinorgbio.2015.07.01... 2015
L-929—— 10.1016/j.jinorgbio.2015.07.01... 2015
MES-SA/Dx5—— 10.1039/d1dt00808k 2021
A2780cisR—— 10.1039/d1dt00808k 2021

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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