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Complex #2448 — Ru(2) [SCAR 4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2448
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 3, "P": 2}
AbbreviationSCAR 4
SMILESO=C([O-])c1ccccn1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C46H40N3O2P2Ru/(1-44)(2-41)(3-47)(4-49)(5-52)(6-62)(7-50)(8-81)(9-45)(10-43)(11-74)(12-54)(13-46)(14-63)(15-48)(16-70)(17-81)(18-53)(19-60)(20-82)(21-55)(22-51)(23-59)(24-70)(25-71)(26-61)(27-66)(28-71)(29-75)(30-58)(31-42)(32-57)(33-56)(34-64)(35-67)(36-65)(37-82)(38-69)(39-68)(40-76)(41-62)(41-72)(42-58)(42-78)(43-44)(43-74)(44-72)(45-47)(45-83)(46-49)(46-83)(47-50)(48-52)(48-84)(49-50)(51-52)(51-54)(53-54)(53-84)(55-60)(55-85)(56-61)(56-85)(57-58)(57-75)(59-60)(59-61)(62-73)(63-64)(63-76)(64-73)(65-66)(65-86)(66-67)(67-69)(68-69)(68-86)(70-71)(70-81)(71-82)(72-77)(73-79)(74-87)(75-88)(76-89)(77-79)(77-87)(78-80)(78-88)(79-89)(80-90)(80-91)(81-92)(82-93)(83-92)(84-92)(85-93)(86-93)(87-94)(88-94)(89-94)(92-94)(93-94)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2314— 10.1007/s10534-017-0008-z 2017
DU-1455.7— 10.1007/s10534-017-0008-z 2017
Caco-215— 10.1007/s10534-017-0008-z 2017
Vero38— 10.3390/molecules19055999 2014
HeLa45— 10.1007/s10534-017-0008-z 2017
MRC-547— 10.1007/s10534-017-0008-z 2017
HepG261— 10.1007/s10534-017-0008-z 2017

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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