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Complex #2677 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2677
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESC1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1

TUCAN

C44H40N8Ru/(1-70)(2-45)(3-46)(4-49)(5-41)(6-50)(7-72)(8-41)(9-73)(10-74)(11-52)(12-59)(13-60)(14-69)(15-59)(16-68)(17-60)(18-67)(19-48)(20-53)(21-47)(22-51)(23-41)(24-42)(25-42)(26-42)(27-55)(28-54)(29-58)(30-56)(31-57)(32-43)(33-43)(34-43)(35-44)(36-44)(37-44)(38-75)(39-71)(40-86)(41-61)(42-62)(43-63)(44-66)(45-61)(45-76)(46-61)(46-70)(47-62)(47-72)(48-53)(48-71)(49-62)(49-77)(50-63)(50-81)(51-63)(51-73)(52-66)(52-82)(53-64)(54-56)(54-65)(55-66)(55-74)(56-75)(57-58)(57-69)(58-68)(59-67)(59-68)(60-68)(60-69)(64-78)(64-80)(65-79)(65-83)(67-69)(67-84)(70-87)(71-89)(72-88)(73-90)(74-92)(75-85)(76-77)(76-87)(77-88)(78-79)(78-89)(79-85)(80-83)(80-91)(81-82)(81-90)(82-92)(83-86)(84-86)(84-91)(87-93)(88-93)(89-93)(90-93)(91-93)(92-93)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740226 10.1007/s11243-018-0264-y 2018
SGC-7901 10.1007/s11243-018-0264-y 2018
PC-12 10.1007/s11243-018-0264-y 2018
SiHa 10.1007/s11243-018-0264-y 2018
HepG2 10.1007/s11243-018-0264-y 2018
A549 10.1007/s11243-018-0264-y 2018
HeLa 10.1007/s11243-018-0264-y 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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