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Complex #3319 — Ru(2) [3e]

2D Structure

Structure
⬇ MOL V3000

Info

ID3319
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation3e
SMILESCCCCn1c(-c2[c-]cc(OC)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C30H35N2O3Ru/(1-63)(2-36)(3-38)(4-41)(5-48)(6-38)(7-42)(8-38)(9-46)(10-39)(11-44)(12-39)(13-39)(14-43)(15-57)(16-45)(17-36)(18-37)(19-52)(20-37)(21-49)(22-58)(23-58)(24-51)(25-51)(26-52)(27-63)(28-62)(29-62)(30-36)(31-50)(32-63)(33-62)(34-47)(35-37)(36-54)(37-52)(38-57)(39-57)(40-49)(40-56)(41-42)(41-53)(42-54)(43-44)(43-53)(44-54)(45-46)(45-59)(46-55)(47-55)(47-60)(48-50)(48-56)(49-64)(50-64)(51-52)(51-58)(53-57)(55-65)(56-61)(58-66)(59-60)(59-66)(60-67)(61-66)(61-67)(62-69)(63-70)(64-70)(65-68)(65-69)(67-71)(70-71)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27801.6— 10.1021/acs.jmedchem.5b01194 2015
A4271.8— 10.1021/acs.jmedchem.5b01194 2015
A2780cisR2.2— 10.1021/acs.jmedchem.5b01194 2015
56372.3— 10.1021/acs.jmedchem.5b01194 2015
SISO2.3— 10.1021/acs.jmedchem.5b01194 2015
LCLC2.5— 10.1021/acs.jmedchem.5b01194 2015
HT-292.8— 10.1021/acs.jmedchem.5b01194 2015
EA.hy9265.1— 10.1021/acs.jmedchem.5b01194 2015

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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