home← all complexes Ir builderC^N familiesD-MPNN

Complex #1958 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1958
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESCc1ncc(CO)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H31N9O2Ru/(1-70)(2-35)(3-37)(4-53)(5-34)(6-57)(7-48)(8-54)(9-36)(10-38)(11-58)(12-55)(13-56)(14-32)(15-32)(16-32)(17-59)(18-43)(19-47)(20-33)(21-40)(22-41)(23-46)(24-70)(25-42)(26-45)(27-39)(28-44)(29-74)(30-81)(31-82)(32-61)(33-35)(33-60)(34-35)(34-53)(36-37)(36-54)(37-40)(38-48)(38-57)(39-41)(39-42)(40-63)(41-64)(42-55)(43-47)(43-58)(44-45)(44-46)(45-56)(46-67)(47-51)(48-52)(49-50)(49-69)(49-71)(50-59)(50-70)(51-62)(51-68)(52-65)(52-66)(53-75)(54-76)(55-77)(56-78)(57-72)(58-73)(59-79)(60-67)(60-75)(61-71)(61-79)(62-66)(62-80)(63-64)(63-76)(64-77)(65-68)(65-72)(66-74)(67-78)(68-73)(69-74)(69-80)(70-82)(71-81)(75-83)(76-83)(77-83)(78-83)(79-83)(80-83)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740227— 10.1016/j.jphotobiol.2014.07.0... 2014
A54934— 10.1016/j.jphotobiol.2014.07.0... 2014
HeLa—— 10.1016/j.jphotobiol.2014.07.0... 2014
MG-63—— 10.1016/j.jphotobiol.2014.07.0... 2014

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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