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Complex #1141 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID1141
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
Abbreviation9
SMILESCc1c(C)c(C)c(C)c(C)c1C.Clc1cccc(/N=C/c2ccc3ccccc3n2)c1.[Cl-]

TUCAN

C28H29ClN2Ru/(1-37)(2-40)(3-30)(4-30)(5-30)(6-31)(7-31)(8-31)(9-32)(10-39)(11-41)(12-44)(13-45)(14-53)(15-43)(16-36)(17-42)(18-38)(19-32)(20-32)(21-33)(22-33)(23-33)(24-34)(25-34)(26-34)(27-35)(28-35)(29-35)(30-46)(31-47)(32-48)(33-49)(34-50)(35-51)(36-37)(36-56)(37-40)(38-45)(38-54)(39-56)(39-57)(40-57)(41-43)(41-45)(42-44)(42-52)(43-52)(44-55)(46-47)(46-48)(47-49)(48-50)(49-51)(50-51)(52-54)(53-55)(53-59)(54-58)(55-58)(56-59)(57-60)(58-61)(59-61)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
AGS1.9— 10.1021/acs.molpharmaceut.6b00... 2016
KATO III2.2— 10.1021/acs.molpharmaceut.6b00... 2016
HCT-1163— 10.1021/acs.molpharmaceut.6b00... 2016
MCF-76.5— 10.1021/jm500455p 2014
A27807.6— 10.1021/jm500455p 2014
A2780cisR9.8— 10.1021/jm500455p 2014
SW48016— 10.1021/acs.molpharmaceut.6b00... 2016

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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