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Complex #4108 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4108
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "P": 1}
AbbreviationRu2
SMILESC[c-]1cccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)CCCOc1ccnc(-c2cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C58H42F36N2O2PRu/(1-43)(2-43)(3-52)(4-62)(5-47)(6-46)(7-77)(8-53)(9-50)(10-69)(11-54)(12-56)(13-73)(14-48)(15-67)(16-71)(17-67)(18-45)(19-68)(20-68)(21-70)(22-70)(23-69)(24-49)(25-51)(26-77)(27-55)(28-57)(29-74)(30-58)(31-61)(32-59)(33-71)(34-78)(35-60)(36-78)(37-63)(38-65)(39-66)(40-44)(41-43)(42-64)(43-72)(44-65)(44-72)(45-75)(45-80)(46-47)(46-98)(47-52)(48-73)(48-79)(49-50)(49-98)(50-52)(51-54)(51-99)(53-54)(53-57)(55-57)(55-99)(56-59)(56-60)(58-59)(58-100)(60-61)(61-100)(62-74)(62-80)(63-76)(63-79)(64-66)(64-72)(65-66)(67-71)(67-81)(68-89)(68-90)(69-70)(69-77)(70-91)(71-78)(73-102)(74-101)(75-76)(75-101)(76-102)(77-104)(78-103)(79-103)(80-104)(81-85)(81-111)(81-118)(82-83)(82-84)(82-105)(82-119)(83-93)(83-109)(83-116)(84-86)(84-112)(84-113)(85-92)(85-120)(85-135)(86-97)(86-110)(86-114)(87-90)(87-91)(87-121)(87-122)(88-95)(88-96)(88-126)(88-131)(89-94)(89-124)(89-128)(90-123)(90-129)(91-125)(91-127)(92-93)(92-133)(92-134)(93-115)(93-132)(94-95)(94-137)(94-140)(95-138)(95-139)(96-106)(96-130)(96-136)(97-107)(97-108)(97-117)(98-141)(99-141)(100-141)(101-142)(102-142)(104-142)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW4801.5— 10.1016/j.ejmech.2017.11.059 2018
RKO2— 10.1016/j.ejmech.2017.11.059 2018
NCM4608.7— 10.1016/j.ejmech.2017.11.059 2018

🧬 Cell Death Types (1)

Apoptosis high
«showed that Ru2 has a potent anti-proliferative activity, 4e6 times higher than cisplatin, and induce apoptosis in these cells.»

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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