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Complex #1434 — Ru(2) [Rup-03]

2D Structure

Structure
⬇ MOL V3000

Info

ID1434
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6}
AbbreviationRup-03
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C63H45N9Ru/(1-47)(2-56)(3-91)(4-67)(5-69)(6-61)(7-66)(8-92)(9-74)(10-68)(11-48)(12-58)(13-64)(14-81)(15-70)(16-93)(17-49)(18-59)(19-94)(20-52)(21-46)(22-75)(23-63)(24-54)(25-79)(26-80)(27-65)(28-82)(29-50)(30-60)(31-71)(32-57)(33-55)(34-77)(35-95)(36-72)(37-62)(38-73)(39-96)(40-51)(41-53)(42-76)(43-78)(44-110)(45-111)(46-52)(46-97)(47-68)(47-90)(48-52)(48-91)(49-54)(49-92)(50-56)(50-107)(51-54)(51-98)(53-55)(53-104)(55-57)(56-100)(57-93)(58-59)(58-85)(59-94)(60-62)(60-103)(61-69)(61-99)(62-106)(63-68)(63-75)(64-65)(64-81)(65-87)(66-67)(66-83)(67-82)(69-101)(70-79)(70-83)(71-72)(71-102)(72-108)(73-80)(73-87)(74-75)(74-90)(76-78)(76-105)(77-78)(77-95)(79-82)(80-81)(83-84)(84-103)(84-107)(85-86)(85-96)(86-100)(86-108)(87-88)(88-99)(88-106)(89-90)(89-101)(89-102)(91-112)(92-113)(93-116)(94-109)(95-117)(96-109)(97-98)(97-112)(98-113)(99-114)(100-115)(101-114)(102-110)(103-111)(104-105)(104-116)(105-117)(106-111)(107-115)(108-110)(112-118)(113-118)(114-118)(115-118)(116-118)(117-118)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG230— 10.1016/j.pdpdt.2017.02.001 2017
MCF-742— 10.1016/j.pdpdt.2017.02.001 2017
A54954— 10.1016/j.pdpdt.2017.02.001 2017
RAW 264.759— 10.1016/j.pdpdt.2017.02.001 2017
CNE-1—— 10.1016/j.pdpdt.2017.02.001 2017
CNE-2—— 10.1016/j.pdpdt.2017.02.001 2017
SGC-7901—— 10.1016/j.pdpdt.2017.02.001 2017
SW480—— 10.1016/j.pdpdt.2017.02.001 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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