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Complex #6606 — Os(2) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID6606
MetalOs
Oxidation state2
Charge0
Donor atoms{"N": 3, "O": 1}
Abbreviation6
SMILESCCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[N-][C@H](c4ccccc4)[C@H]([NH-])c4ccccc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.Cc1ccc(C(C)C)cc1

TUCAN

C51H56N4O6OsS2/(1-60)(2-65)(3-60)(4-80)(5-76)(6-60)(7-61)(8-69)(9-72)(10-96)(11-59)(12-64)(13-57)(14-57)(15-95)(16-61)(17-86)(18-68)(19-84)(20-102)(21-82)(22-66)(23-96)(24-78)(25-81)(26-79)(27-103)(28-61)(29-59)(30-67)(31-57)(32-58)(33-58)(34-62)(35-83)(36-71)(37-59)(38-62)(39-97)(40-85)(41-58)(42-97)(43-62)(44-63)(45-63)(46-98)(47-63)(48-70)(49-73)(50-98)(51-77)(52-99)(53-99)(54-74)(55-75)(56-110)(57-95)(58-95)(59-88)(60-96)(61-97)(62-98)(63-99)(64-65)(64-87)(65-88)(66-67)(66-87)(67-88)(68-74)(68-89)(69-100)(69-104)(70-74)(70-75)(71-106)(71-107)(72-76)(72-94)(73-75)(73-89)(76-83)(77-101)(77-105)(78-79)(78-107)(79-91)(80-81)(80-90)(81-100)(82-86)(82-94)(83-86)(84-85)(84-93)(85-101)(87-95)(89-102)(90-92)(90-104)(91-92)(91-106)(92-93)(93-105)(94-103)(96-108)(97-108)(98-109)(99-109)(100-108)(101-109)(102-103)(102-111)(103-110)(104-112)(105-112)(106-119)(107-118)(110-120)(111-118)(111-120)(113-118)(114-118)(115-119)(116-119)(117-119)(118-120)(119-120)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54917— 10.1021/acs.jmedchem.8b00958 2018
A278018— 10.1021/acs.jmedchem.8b00958 2018
A2780cisR27— 10.1021/acs.jmedchem.8b00958 2018
HCT-116Ox35— 10.1021/acs.jmedchem.8b00958 2018
HCT-11641— 10.1021/acs.jmedchem.8b00958 2018

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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