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Complex #2762 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2762
MetalRu
Oxidation state2
Charge0
Donor atoms{"P": 2, "N": 6}
Abbreviation4
SMILES[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2nc3nc4c5cccnc5c5ncccc5c4nc3nc2c1

TUCAN

C56H40N6P2Ru/(1-44)(2-54)(3-43)(4-58)(5-45)(6-42)(7-46)(8-49)(9-48)(10-50)(11-52)(12-47)(13-53)(14-74)(15-56)(16-51)(17-55)(18-61)(19-59)(20-57)(21-60)(22-63)(23-64)(24-82)(25-76)(26-67)(27-69)(28-41)(29-62)(30-65)(31-71)(32-81)(33-75)(34-66)(35-68)(36-72)(37-73)(38-77)(39-78)(40-70)(41-75)(41-79)(42-44)(42-91)(43-58)(43-85)(44-48)(45-46)(45-48)(46-91)(47-49)(47-92)(49-50)(50-52)(51-52)(51-92)(53-56)(53-59)(54-58)(54-62)(55-56)(55-93)(57-59)(57-93)(60-63)(60-94)(61-63)(61-65)(62-84)(64-65)(64-94)(66-67)(66-69)(67-95)(68-69)(68-71)(70-73)(70-78)(71-95)(72-73)(72-96)(74-76)(74-80)(75-81)(76-82)(77-78)(77-96)(79-83)(79-86)(80-87)(80-88)(81-100)(82-99)(83-87)(83-101)(84-85)(84-102)(85-97)(86-88)(86-100)(87-98)(88-99)(89-90)(89-101)(89-102)(90-97)(90-98)(91-103)(92-103)(93-103)(94-104)(95-104)(96-104)(101-105)(102-105)(103-105)(104-105)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2313.1— 10.21577/0103-5053.20170019 2017
L-92912— 10.21577/0103-5053.20170019 2017
MCF-726— 10.21577/0103-5053.20170019 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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