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Complex #4606 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID4606
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1}
Abbreviation2a
SMILESC=C(CC)C(=O)c1ccc(OCC(=O)OCC(C)(COC(=O)CCc2cccnc2)COC(=O)COc2ccc(C(=O)C(=C)CC)c(Cl)c2Cl)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]

TUCAN

C49Cl6NO10Ru/(1-27)(2-29)(3-31)(4-23)(5-30)(6-17)(7-22)(8-30)(9-15)(9-33)(10-11)(10-40)(11-25)(12-13)(12-23)(13-24)(14-16)(14-42)(15-26)(16-28)(17-27)(18-19)(18-23)(19-24)(20-21)(20-26)(21-44)(22-29)(24-30)(25-39)(25-48)(26-32)(27-39)(28-41)(28-49)(29-41)(31-35)(31-36)(31-37)(32-50)(33-50)(34-43)(34-59)(35-57)(36-56)(37-58)(38-45)(38-60)(39-51)(40-46)(40-59)(41-52)(42-47)(42-60)(43-53)(43-57)(44-55)(44-56)(45-54)(45-58)(46-48)(46-64)(47-49)(47-65)(48-63)(49-66)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR2— 10.1016/j.jinorgbio.2017.07.02... 2017
A27808.9— 10.1016/j.jinorgbio.2017.07.02... 2017
HEK29322— 10.1016/j.jinorgbio.2017.07.02... 2017

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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