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Complex #1534 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1534
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1

TUCAN

C67H65N9O2Ru/(1-66)(2-85)(3-116)(4-115)(5-82)(6-89)(7-66)(8-66)(9-120)(10-67)(11-67)(12-67)(13-68)(14-86)(15-117)(16-91)(17-68)(18-68)(19-69)(20-69)(21-69)(22-70)(23-70)(24-70)(25-71)(26-71)(27-71)(28-72)(29-78)(30-72)(31-72)(32-73)(33-83)(34-81)(35-84)(36-118)(37-73)(38-73)(39-74)(40-74)(41-93)(42-80)(43-96)(44-74)(45-75)(46-87)(47-99)(48-95)(49-75)(50-97)(51-88)(52-79)(53-90)(54-75)(55-98)(56-76)(57-76)(58-76)(59-77)(60-77)(61-92)(62-119)(63-94)(64-77)(65-134)(66-111)(67-111)(68-111)(69-112)(70-112)(71-112)(72-113)(73-113)(74-113)(75-114)(76-114)(77-114)(78-83)(78-120)(79-98)(79-121)(80-82)(80-87)(81-109)(81-121)(82-100)(83-101)(84-88)(84-102)(85-103)(85-126)(86-104)(86-127)(87-110)(88-95)(89-103)(89-116)(90-105)(90-128)(91-104)(91-117)(92-106)(92-129)(93-105)(93-118)(94-106)(94-119)(95-110)(96-98)(96-109)(97-99)(97-115)(99-108)(100-107)(100-131)(101-124)(101-125)(102-107)(102-132)(103-111)(104-112)(105-113)(106-114)(107-110)(108-122)(108-123)(109-130)(115-133)(116-136)(117-137)(118-138)(119-139)(120-141)(121-135)(122-125)(122-133)(123-124)(123-134)(124-140)(125-141)(126-127)(126-136)(127-137)(128-129)(128-138)(129-139)(130-134)(130-140)(131-135)(131-142)(132-135)(132-143)(136-144)(137-144)(138-144)(139-144)(140-144)(141-144)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SiHa22— 10.1007/s11243-016-0096-6 2016
PC-1227— 10.1007/s11243-016-0096-6 2016
EC970632— 10.1007/s11243-016-0096-6 2016
SGC-790177— 10.1007/s11243-016-0096-6 2016
HepG2—— 10.1007/s11243-016-0096-6 2016
EC109—— 10.1007/s11243-016-0096-6 2016
HeLa—— 10.1007/s11243-016-0096-6 2016
HOS—— 10.1007/s11243-016-0096-6 2016
LO2—— 10.1007/s11243-016-0096-6 2016

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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