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Complex #1206 — Ru(3) [P2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1206
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 3}
AbbreviationP2
SMILES[Cl-].[Cl-].[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1

TUCAN

C15H11N3Ru/(1-18)(2-20)(3-14)(4-19)(5-12)(6-16)(7-15)(8-21)(9-22)(10-13)(11-17)(12-13)(12-20)(13-21)(14-19)(14-22)(15-18)(15-25)(16-18)(16-24)(17-19)(17-23)(20-26)(21-28)(22-27)(23-25)(23-27)(24-26)(24-29)(25-29)(26-28)(28-30)(29-30)

Measurements (17)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H22664— 10.1039/c3nj00415e 2013
NCI-H22664— 10.1007/s00775-013-1083-4 2014
MCF-764— 10.1039/c3nj00415e 2013
MCF-764— 10.1007/s00775-013-1083-4 2014
EVSA-T67— 10.1039/c3nj00415e 2013
EVSA-T67— 10.1007/s00775-013-1083-4 2014
M1968— 10.1039/c3nj00415e 2013
M1968— 10.1007/s00775-013-1083-4 2014
WiDr79— 10.1039/c3nj00415e 2013
WiDr79— 10.1007/s00775-013-1083-4 2014
A49880— 10.1039/c3nj00415e 2013
A49880— 10.1007/s00775-013-1083-4 2014
IGROV-190— 10.1039/c3nj00415e 2013
IGROV-190— 10.1007/s00775-013-1083-4 2014
A549—— 10.1039/c5dt04132e 2016
HCT-116—— 10.1039/c5dt04132e 2016
CT-26—— 10.1039/c5dt04132e 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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