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Complex #2541 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID2541
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 4, "P": 1}
Abbreviation5
SMILESS=c1nc[nH]c2nc[nH]c12.S=c1nc[nH]c2nc[nH]c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C46H38N8P2RuS2/(1-39)(2-44)(3-46)(4-40)(5-45)(6-41)(7-47)(8-52)(9-56)(10-58)(11-54)(12-55)(13-49)(14-65)(15-62)(16-42)(17-48)(18-43)(19-50)(20-61)(21-73)(22-74)(23-71)(24-66)(25-51)(26-63)(27-67)(28-53)(29-57)(30-60)(31-59)(32-68)(33-64)(34-72)(35-86)(36-85)(37-88)(38-87)(39-44)(39-46)(40-45)(40-46)(41-47)(41-58)(42-48)(42-49)(43-48)(43-50)(44-77)(45-77)(47-80)(49-78)(50-78)(51-53)(51-61)(52-54)(52-58)(53-57)(54-80)(55-56)(55-81)(56-65)(57-66)(59-60)(59-67)(60-64)(61-79)(62-63)(62-81)(63-65)(64-68)(66-79)(67-82)(68-82)(69-75)(69-83)(69-86)(70-76)(70-84)(70-88)(71-85)(71-89)(72-87)(72-90)(73-86)(73-91)(74-88)(74-92)(75-85)(75-91)(76-87)(76-92)(77-93)(78-94)(79-94)(80-93)(81-93)(82-94)(83-89)(83-95)(84-90)(84-96)(89-97)(90-97)(91-97)(92-97)(94-97)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278029— 10.1021/ic0349095 2003
A2780cisR—— 10.1021/ic0349095 2003
HT-29—— 10.1021/ic0349095 2003
MCF-7—— 10.1021/ic0349095 2003
A549—— 10.1021/ic0349095 2003

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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