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Complex #432 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID432
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
Abbreviation3
SMILESO=C([O-])/C=C/c1ccc2c(c1)OCO2.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C48H43N2O4P2Ru/(1-60)(2-49)(3-44)(4-76)(5-87)(6-45)(7-46)(8-51)(9-58)(10-53)(11-65)(12-84)(13-48)(14-47)(15-87)(16-75)(17-76)(18-50)(19-55)(20-75)(21-69)(22-84)(23-73)(24-70)(25-68)(26-71)(27-57)(28-52)(29-63)(30-54)(31-86)(32-86)(33-62)(34-59)(35-64)(36-56)(37-61)(38-67)(39-66)(40-74)(41-72)(42-78)(43-79)(44-46)(44-60)(45-51)(45-88)(46-89)(47-48)(47-68)(48-78)(49-51)(49-52)(50-52)(50-88)(53-65)(53-77)(54-62)(54-91)(55-58)(55-89)(56-64)(56-91)(57-63)(57-90)(58-60)(59-66)(59-90)(61-62)(61-64)(63-67)(65-85)(66-67)(68-80)(69-70)(69-83)(70-77)(71-74)(71-81)(72-74)(72-79)(73-77)(73-82)(75-76)(75-87)(76-86)(78-92)(79-93)(80-81)(80-92)(81-93)(82-83)(82-97)(83-96)(84-96)(84-97)(85-94)(85-95)(86-99)(87-98)(88-98)(89-99)(90-99)(91-98)(92-100)(93-100)(96-100)(97-100)(99-100)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
L-9291.2— 10.1016/j.jinorgbio.2020.11102... 2020
CHL-12.8— 10.1039/d1nj04291b 2022
MDA-MB-2313.7— 10.1016/j.jinorgbio.2020.11102... 2020
HT-1445.3— 10.1039/d1nj04291b 2022
MCF-75.6— 10.1016/j.jinorgbio.2020.11102... 2020
FB17.5— 10.1039/d1nj04291b 2022
SK-MEL-1478— 10.1039/d1nj04291b 2022
CCD-1059Sk13— 10.1039/d1nj04291b 2022
MCF-10A13— 10.1016/j.jinorgbio.2020.11102... 2020
WM136614— 10.1039/d1nj04291b 2022
NGM15— 10.1039/d1nj04291b 2022

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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