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Complex #478 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID478
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESCN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1

TUCAN

C90H90N12Ru/(1-91)(2-163)(3-92)(4-151)(5-151)(6-151)(7-95)(8-152)(9-105)(10-152)(11-96)(12-103)(13-152)(14-93)(15-153)(16-153)(17-97)(18-99)(19-102)(20-94)(21-153)(22-154)(23-100)(24-106)(25-154)(26-108)(27-114)(28-164)(29-154)(30-155)(31-155)(32-98)(33-109)(34-111)(35-155)(36-120)(37-101)(38-115)(39-156)(40-165)(41-116)(42-156)(43-156)(44-166)(45-104)(46-113)(47-157)(48-107)(49-157)(50-118)(51-117)(52-132)(53-167)(54-157)(55-168)(56-158)(57-158)(58-122)(59-110)(60-158)(61-119)(62-159)(63-125)(64-133)(65-121)(66-126)(67-124)(68-128)(69-159)(70-159)(71-131)(72-160)(73-160)(74-112)(75-160)(76-129)(77-130)(78-134)(79-136)(80-161)(81-161)(82-161)(83-127)(84-162)(85-162)(86-162)(87-138)(88-137)(89-123)(90-135)(91-92)(91-169)(92-140)(93-139)(93-170)(94-141)(94-171)(95-97)(95-169)(96-99)(96-139)(97-140)(98-142)(98-172)(99-140)(100-111)(100-141)(101-147)(101-174)(102-105)(102-143)(103-139)(103-163)(104-141)(104-164)(105-173)(106-109)(106-173)(107-142)(107-165)(108-115)(108-142)(109-143)(110-147)(110-166)(111-143)(112-148)(112-167)(113-114)(113-144)(114-175)(115-144)(116-120)(116-145)(117-118)(117-144)(118-175)(119-122)(119-176)(120-147)(121-123)(121-148)(122-145)(123-146)(124-125)(124-176)(125-145)(126-128)(126-146)(127-135)(127-149)(128-177)(129-131)(129-146)(130-149)(130-168)(131-177)(132-148)(132-179)(133-149)(133-180)(134-136)(134-150)(135-150)(136-178)(137-138)(137-150)(138-178)(151-181)(152-181)(153-182)(154-182)(155-183)(156-183)(157-184)(158-184)(159-185)(160-185)(161-186)(162-186)(163-187)(164-188)(165-189)(166-190)(167-191)(168-192)(169-181)(170-171)(170-187)(171-188)(172-174)(172-189)(173-182)(174-190)(175-183)(176-184)(177-185)(178-186)(179-180)(179-191)(180-192)(187-193)(188-193)(189-193)(190-193)(191-193)(192-193)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RPE-1—38 10.1038/s41467-020-16993-0 2020
RPE-1—49 10.1038/s41467-020-16993-0 2020
HeLa—29 10.1038/s41467-020-16993-0 2020
HeLa—52 10.1038/s41467-020-16993-0 2020
CT-26—43 10.1038/s41467-020-16993-0 2020
CT-26—62 10.1038/s41467-020-16993-0 2020
U373—49 10.1038/s41467-020-16993-0 2020
U373—61 10.1038/s41467-020-16993-0 2020

🧬 Cell Death Types (2)

Apoptosis high
«While apoptosis was found to be the cell death mechanism for 1 – 5, 6 – 7 triggered cell death by a combination of apoptosis and paraptosis pathways.»
Paraptosis high
«While apoptosis was found to be the cell death mechanism for 1 – 5, 6 – 7 triggered cell death by a combination of apoptosis and paraptosis pathways.»

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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