home← all complexes Ir builderC^N familiesD-MPNN

Complex #44 — Ru(2) [3c]

2D Structure

Structure
⬇ MOL V3000

Info

ID44
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3c
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H30N8ORu/(1-58)(2-40)(3-31)(4-33)(5-35)(6-59)(7-41)(8-44)(9-62)(10-32)(11-45)(12-73)(13-73)(14-49)(15-46)(16-34)(17-50)(18-60)(19-61)(20-43)(21-73)(22-63)(23-47)(24-36)(25-37)(26-38)(27-39)(28-42)(29-48)(30-76)(31-33)(31-58)(32-46)(32-59)(33-51)(34-35)(34-62)(35-52)(36-39)(36-54)(37-38)(37-61)(38-53)(39-60)(40-41)(40-51)(41-52)(42-48)(42-63)(43-47)(43-55)(44-50)(44-74)(45-49)(45-74)(46-55)(47-56)(48-56)(49-57)(50-57)(51-64)(52-65)(53-68)(53-71)(54-67)(54-70)(55-66)(56-69)(57-72)(58-77)(59-78)(60-75)(61-82)(62-79)(63-81)(64-65)(64-77)(65-79)(66-69)(66-78)(67-68)(67-76)(68-80)(69-81)(70-71)(70-75)(71-82)(72-76)(72-80)(73-83)(74-83)(77-84)(78-84)(79-84)(80-84)(81-84)(82-84)(83-84)

Measurements (17)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
KB5.3— 10.1016/j.jinorgbio.2007.07.03... 2007
L12105.8— 10.1016/j.jinorgbio.2007.07.03... 2007
A3755.9— 10.1021/ic100277w 2010
HepG27.2— 10.1021/ic100277w 2010
HL607.2— 10.1016/j.jinorgbio.2007.07.03... 2007
BEL-74028.6— 10.1016/j.jinorgbio.2007.07.03... 2007
SW62014— 10.1021/ic100277w 2010
MDA-MB-23115— 10.1038/srep09157 2015
HeLa18— 10.1039/c7ra00658f 2017
CaSki22— 10.1039/c7ra00658f 2017
MCF-728— 10.1038/srep09157 2015
Hs6833— 10.1021/ic100277w 2010
SiHa49— 10.1039/c7ra00658f 2017
MCF-7/DOX56— 10.1038/srep09157 2015
HK-258— 10.1021/ic100277w 2010
MDA-MB-46878— 10.1038/srep09157 2015
HK-21.4e+02— 10.1038/srep09157 2015

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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