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Complex #4636 — Ru(2) [Ru-ART-6]

2D Structure

Structure
⬇ MOL V3000

Info

ID4636
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu-ART-6
SMILESC[C@H]1[C@H](OC(=O)CCC(=O)OCc2ccnc(-c3cc(COC(=O)CCC(=O)O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)ccn3)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.c1ccc(-c2ccnc...

TUCAN

C98H96N6O16Ru/(1-162)(2-107)(3-103)(4-111)(5-106)(6-169)(7-112)(8-137)(9-108)(10-116)(11-104)(12-117)(13-105)(14-113)(15-115)(16-118)(17-97)(18-109)(19-114)(20-163)(21-126)(22-122)(23-97)(24-170)(25-123)(26-161)(27-129)(28-125)(29-128)(30-97)(31-171)(32-130)(33-140)(34-110)(35-124)(36-131)(37-172)(38-98)(39-189)(40-190)(41-181)(42-98)(43-98)(44-99)(45-99)(46-139)(47-140)(48-136)(49-191)(50-181)(51-135)(52-119)(53-121)(54-182)(55-139)(56-164)(57-99)(58-135)(59-136)(60-182)(61-137)(62-134)(63-144)(64-142)(65-132)(66-102)(67-102)(68-143)(69-120)(70-142)(71-100)(72-143)(73-138)(74-133)(75-144)(76-173)(77-145)(78-145)(79-138)(80-100)(81-101)(82-141)(83-174)(84-167)(85-165)(86-101)(87-166)(88-141)(89-168)(90-192)(91-102)(92-127)(93-101)(94-100)(95-146)(96-146)(97-162)(98-193)(99-164)(100-166)(101-194)(102-167)(103-110)(103-148)(104-109)(104-149)(105-150)(105-169)(106-107)(106-108)(107-111)(108-113)(109-153)(110-154)(111-147)(112-116)(112-117)(113-147)(114-151)(114-170)(115-123)(115-125)(116-118)(117-126)(118-152)(119-156)(119-172)(120-160)(120-173)(121-156)(121-177)(122-128)(122-132)(123-129)(124-155)(124-171)(125-130)(126-152)(127-157)(127-174)(128-131)(129-158)(130-158)(131-159)(132-133)(133-159)(134-160)(134-178)(135-136)(135-185)(136-186)(137-138)(137-161)(138-162)(139-140)(139-193)(140-163)(141-142)(141-167)(142-168)(143-144)(143-194)(144-165)(145-146)(145-187)(146-188)(147-150)(148-150)(148-175)(149-151)(149-176)(151-152)(153-155)(153-179)(154-157)(154-180)(155-158)(156-181)(157-159)(160-182)(161-164)(161-183)(162-163)(163-183)(164-190)(165-167)(165-184)(166-168)(166-191)(168-184)(169-195)(170-196)(171-199)(172-197)(173-198)(174-200)(175-180)(175-195)(176-179)(176-196)(177-178)(177-197)(178-198)(179-199)(180-200)(181-207)(182-209)(183-189)(183-214)(184-192)(184-215)(185-202)(185-207)(186-201)(186-205)(187-203)(187-210)(188-204)(188-209)(189-206)(189-208)(190-205)(190-206)(191-210)(191-211)(192-211)(192-212)(193-208)(193-213)(194-212)(194-216)(195-217)(196-217)(197-217)(198-217)(199-217)(200-217)(213-214)(215-216)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa0.6— 10.1007/s00775-021-01901-8 2021
A5490.84— 10.1007/s00775-021-01901-8 2021
HepG21— 10.1007/s00775-021-01901-8 2021
A549cisR1.8— 10.1007/s00775-021-01901-8 2021
LO211— 10.1007/s00775-021-01901-8 2021

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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