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Complex #2620 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID2620
MetalRu
Oxidation state2
Charge1
Donor atoms{"S": 1, "N": 2, "P": 4}
Abbreviation4
SMILES[S-]c1nc2ccccc2[nH]1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C57H49N2P4RuS/(1-51)(2-50)(3-53)(4-104)(5-56)(6-52)(7-55)(8-60)(9-58)(10-61)(11-59)(12-62)(13-65)(14-67)(15-72)(16-74)(17-54)(18-70)(19-71)(20-76)(21-75)(22-57)(23-79)(24-77)(25-104)(26-64)(27-80)(28-68)(29-83)(30-78)(31-82)(32-81)(33-85)(34-84)(35-86)(36-105)(37-88)(38-87)(39-91)(40-92)(41-89)(42-93)(43-105)(44-90)(45-63)(46-73)(47-66)(48-69)(49-107)(50-51)(50-96)(51-54)(52-53)(52-96)(53-54)(55-56)(55-97)(56-57)(57-58)(58-60)(59-61)(59-64)(60-97)(61-98)(62-64)(62-65)(63-73)(63-94)(65-98)(66-69)(66-73)(67-68)(67-72)(68-70)(69-95)(70-74)(71-76)(71-78)(72-99)(74-99)(75-77)(75-78)(76-100)(77-100)(79-80)(79-82)(80-101)(81-83)(81-101)(82-83)(84-85)(84-87)(85-102)(86-88)(86-102)(87-88)(89-92)(89-103)(90-93)(90-103)(91-92)(91-93)(94-95)(94-107)(95-108)(96-109)(97-109)(98-110)(99-110)(100-111)(101-111)(102-112)(103-112)(104-109)(104-110)(105-111)(105-112)(106-107)(106-108)(106-113)(108-114)(109-114)(110-114)(111-114)(112-114)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RPE-11.1— 10.1002/cbic.202400734 2025
A5491.2— 10.1002/cbic.202400734 2025
CT-261.6— 10.1002/cbic.202400734 2025
HT-292.5— 10.1002/cbic.202400734 2025

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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