home← all complexes Ir builderC^N familiesD-MPNN

Complex #1552 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1552
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C32H24N6Ru/(1-30)(2-33)(3-28)(4-35)(5-25)(6-27)(7-32)(8-46)(9-48)(10-31)(11-38)(12-29)(13-40)(14-42)(15-49)(16-50)(17-37)(18-45)(19-47)(20-36)(21-26)(22-34)(23-41)(24-39)(25-27)(25-46)(26-35)(26-45)(27-30)(28-29)(28-43)(29-44)(30-52)(31-32)(31-48)(32-33)(33-53)(34-38)(34-47)(35-43)(36-37)(36-40)(37-49)(38-44)(39-41)(39-50)(40-55)(41-42)(42-56)(43-51)(44-54)(45-57)(46-58)(47-61)(48-59)(49-60)(50-62)(51-54)(51-57)(52-53)(52-58)(53-59)(54-61)(55-56)(55-60)(56-62)(57-63)(58-63)(59-63)(60-63)(61-63)(62-63)

Measurements (15)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HT-291.2e+02— 10.1002/cmdc.200800039 2008
MCF-71.2e+02— 10.1002/cmdc.200800039 2008
HL602.4e+0281 10.1021/ja3009677 2012
A5492.5e+0240 10.1021/ja3009677 2012
HeLa—— 10.1002/chem.201300814 2013
A549—— 10.1002/chem.201300814 2013
A549cisR—— 10.1002/chem.201300814 2013
HepG2—— 10.1002/chem.201300814 2013
LO2—— 10.1002/chem.201300814 2013
B16-F10—— 10.1039/C9RA02615K 2019
A549—— 10.1002/ejic.201800194 2018
B16—— 10.1002/ejic.201800194 2018
Caco-2—— 10.1002/ejic.201800194 2018
HT-29—— 10.1002/ejic.201800194 2018
MDA-MB-231—— 10.1002/ejic.201800194 2018

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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