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Complex #3979 — Ru(3) [Ru-2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3979
MetalRu
Oxidation state3
Charge2
Donor atoms{"N": 2}
AbbreviationRu-2
SMILESCN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1.O.[OH-]

TUCAN

C21H28N2O2Ru/(1-33)(2-30)(3-29)(4-40)(5-32)(6-34)(7-36)(8-46)(9-44)(10-42)(11-42)(12-37)(13-40)(14-31)(15-44)(16-46)(17-47)(18-45)(19-35)(20-40)(21-37)(22-43)(23-43)(24-45)(25-47)(26-41)(27-41)(28-41)(29-32)(29-48)(30-33)(30-38)(31-35)(31-49)(32-33)(34-35)(34-36)(36-39)(37-42)(37-43)(38-44)(38-48)(39-45)(39-49)(40-50)(41-51)(42-50)(43-51)(44-50)(45-51)(46-47)(46-52)(47-53)(48-52)(49-53)(52-54)(53-54)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H197527— 10.1002/anie.201608094 2016
A278039— 10.1002/anie.201608094 2016
COLO-20598— 10.1002/anie.201608094 2016
HeLa—— 10.1002/anie.201608094 2016
MS1—— 10.1002/anie.201608094 2016
MDA-MB-231—— 10.1002/anie.201608094 2016
SUNE1—— 10.1002/anie.201608094 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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