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Complex #1019 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1019
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)ccc2-c2ccc(-c3nc4ccccc4s3)cc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C104H110N8RuS2/(1-155)(2-116)(3-164)(4-147)(5-114)(6-156)(7-144)(8-128)(9-162)(10-112)(11-153)(12-169)(13-116)(14-155)(15-133)(16-116)(17-143)(18-119)(19-120)(20-170)(21-170)(22-118)(23-129)(24-145)(25-150)(26-142)(27-137)(28-163)(29-201)(30-114)(31-158)(32-134)(33-162)(34-169)(35-112)(36-139)(37-114)(38-156)(39-135)(40-164)(41-118)(42-112)(43-141)(44-174)(45-123)(46-192)(47-157)(48-202)(49-163)(50-197)(51-168)(52-148)(53-138)(54-126)(55-198)(56-118)(57-154)(58-146)(59-131)(60-130)(61-136)(62-194)(63-199)(64-117)(65-158)(66-140)(67-168)(68-200)(69-174)(70-132)(71-165)(72-160)(73-157)(74-161)(75-111)(76-165)(77-191)(78-193)(79-159)(80-115)(81-111)(82-111)(83-159)(84-160)(85-115)(86-115)(87-173)(88-113)(89-171)(90-171)(91-113)(92-173)(93-122)(94-124)(95-125)(96-121)(97-166)(98-166)(99-172)(100-113)(101-117)(102-117)(103-161)(104-172)(105-127)(106-152)(107-151)(108-149)(109-167)(110-167)(111-157)(112-155)(113-161)(114-162)(115-165)(116-163)(117-173)(118-168)(119-120)(119-197)(120-122)(121-123)(121-124)(122-203)(123-198)(124-204)(125-127)(125-205)(126-127)(126-199)(128-134)(128-211)(129-181)(129-185)(130-131)(130-175)(131-178)(132-133)(132-212)(133-137)(134-135)(135-147)(136-146)(136-184)(137-138)(138-208)(139-144)(139-180)(140-176)(140-182)(141-175)(141-183)(142-143)(142-179)(143-182)(144-188)(145-154)(145-185)(146-186)(147-209)(148-177)(148-186)(149-151)(149-210)(150-187)(150-189)(151-152)(152-200)(153-188)(153-190)(154-189)(155-191)(156-158)(156-191)(157-158)(159-160)(159-193)(160-161)(162-164)(163-192)(164-169)(165-193)(166-191)(166-195)(167-193)(167-195)(168-194)(169-192)(170-192)(170-196)(171-194)(171-196)(172-173)(172-174)(174-194)(175-213)(176-179)(176-195)(177-184)(177-196)(178-179)(178-183)(180-184)(180-190)(181-182)(181-202)(183-195)(185-207)(186-187)(187-201)(188-214)(189-206)(190-196)(197-217)(198-218)(199-219)(200-220)(201-215)(202-221)(203-204)(203-217)(204-218)(205-210)(205-219)(206-207)(206-215)(207-221)(208-212)(208-216)(209-211)(209-222)(210-220)(211-224)(212-223)(213-216)(213-223)(214-222)(214-224)(217-225)(218-225)(219-225)(220-225)(221-225)(222-225)(223-225)(224-225)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SK-MEL-283e+025.2 10.1021/acs.inorgchem.6b02624 2017
SK-MEL-283e+021.3e+02 10.1021/acs.inorgchem.6b02624 2017
HL60—48 10.1021/acs.inorgchem.6b02624 2017
HL60—1.4e+02 10.1021/acs.inorgchem.6b02624 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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