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Complex #3897 — Ru(2) [Complex]

2D Structure

Structure
⬇ MOL V3000

Info

ID3897
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
AbbreviationComplex
SMILESCc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccc(/C=N\NC(=S)NC3CCCCC3)cc2)cc1)NC1CCCCC1.[Cl-]

TUCAN

C44H55N7RuS2/(1-79)(2-78)(3-79)(4-61)(5-90)(6-62)(7-56)(8-76)(9-96)(10-78)(11-81)(12-76)(13-82)(14-68)(15-59)(16-81)(17-60)(18-64)(19-65)(20-71)(21-75)(22-91)(23-83)(24-77)(25-83)(26-82)(27-77)(28-80)(29-84)(30-84)(31-72)(32-80)(33-69)(34-67)(35-85)(36-70)(37-85)(38-92)(39-74)(40-73)(41-97)(42-57)(43-66)(44-57)(45-56)(46-56)(47-57)(48-58)(49-58)(50-63)(51-58)(52-100)(53-101)(54-103)(55-104)(56-86)(57-90)(58-90)(59-60)(59-94)(60-88)(61-62)(61-86)(62-87)(63-66)(63-87)(64-65)(64-94)(65-88)(66-86)(67-68)(67-75)(68-69)(69-93)(70-71)(70-89)(71-95)(72-73)(72-95)(73-89)(74-75)(74-93)(76-79)(76-96)(77-81)(77-96)(78-79)(78-81)(80-83)(80-97)(82-83)(82-84)(84-85)(85-97)(87-90)(88-91)(89-92)(91-105)(92-106)(93-102)(94-102)(95-102)(96-100)(97-101)(98-100)(98-103)(98-107)(99-101)(99-104)(99-108)(103-105)(104-106)(105-109)(106-109)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-75.2— 10.1080/00958972.2020.1782895 2020
RAW 264.713— 10.1080/00958972.2020.1782895 2020
COLO-20528— 10.1080/00958972.2020.1782895 2020
IMR-3231— 10.1080/00958972.2020.1782895 2020
HEK29339— 10.1080/00958972.2020.1782895 2020

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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