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Complex #399 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID399
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation4
SMILESc1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C56H32N10Ru/(1-72)(2-44)(3-69)(4-51)(5-73)(6-37)(7-48)(8-33)(9-70)(10-40)(11-53)(12-55)(13-39)(14-71)(15-38)(16-45)(17-50)(18-74)(19-35)(20-36)(21-43)(22-47)(23-34)(24-42)(25-54)(26-49)(27-58)(28-52)(29-41)(30-46)(31-57)(32-56)(33-43)(33-50)(34-63)(34-81)(35-45)(35-61)(36-48)(36-62)(37-46)(37-61)(38-44)(38-72)(39-49)(39-54)(40-43)(40-63)(41-58)(41-73)(42-65)(42-86)(44-59)(45-69)(46-66)(47-52)(47-70)(48-71)(49-53)(50-60)(51-60)(51-80)(52-66)(53-65)(54-64)(55-64)(55-88)(56-57)(56-68)(57-74)(58-67)(59-82)(59-83)(60-63)(61-75)(62-76)(62-79)(64-65)(66-77)(67-84)(67-85)(68-78)(68-87)(69-93)(70-95)(71-97)(72-89)(73-91)(74-98)(75-77)(75-93)(76-83)(76-94)(77-95)(78-85)(78-96)(79-82)(79-97)(80-81)(80-94)(81-90)(82-89)(83-90)(84-87)(84-91)(85-92)(86-88)(86-92)(87-98)(88-96)(93-99)(94-99)(95-99)(96-99)(97-99)(98-99)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CT-260.06 10.1021/acs.inorgchem.3c02606 2023
CT-261.9 10.1021/acs.inorgchem.3c02606 2023
CT-260.75 10.1021/acs.inorgchem.3c02606 2023
HT-290.18 10.1021/acs.inorgchem.3c02606 2023
HT-290.4 10.1021/acs.inorgchem.3c02606 2023
HT-292.5 10.1021/acs.inorgchem.3c02606 2023
RPE-10.18 10.1021/acs.inorgchem.3c02606 2023
RPE-11.3 10.1021/acs.inorgchem.3c02606 2023
RPE-10.3 10.1021/acs.inorgchem.3c02606 2023

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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