home← all complexes Ir builderC^N familiesD-MPNN

Complex #1390 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1390
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation4
SMILESCc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Cl-].c1ccccc1

TUCAN

C26H20N4Ru/(1-22)(2-31)(3-24)(4-25)(5-22)(6-34)(7-39)(8-26)(9-27)(10-28)(11-40)(12-33)(13-22)(14-29)(15-30)(16-23)(17-32)(18-21)(19-21)(20-21)(21-36)(22-37)(23-37)(23-41)(24-25)(24-26)(25-27)(26-28)(27-29)(28-29)(30-31)(30-39)(31-35)(32-36)(32-43)(33-34)(33-38)(34-40)(35-44)(35-45)(36-37)(38-42)(38-46)(39-47)(40-50)(41-43)(41-48)(42-44)(42-49)(43-49)(44-48)(45-46)(45-47)(46-50)(49-51)(50-51)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SiHa5.3— 10.1002/aoc.4154 2017
SiHa7.9— 10.1002/aoc.4154 2017
A549—— 10.1016/j.jinorgbio.2016.01.00... 2016
MDA-MB-231—— 10.1016/j.jinorgbio.2016.01.00... 2016
HeLa—— 10.1016/j.jinorgbio.2016.01.00... 2016
MRC-5—— 10.1016/j.jinorgbio.2016.01.00... 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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