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Complex #1022 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1022
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation4
SMILESCCCCC(C)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.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4...

TUCAN

C119H112N12RuS2/(1-165)(2-119)(3-148)(4-141)(5-118)(6-145)(7-127)(8-136)(9-133)(10-163)(11-140)(12-160)(13-119)(14-165)(15-119)(16-135)(17-126)(18-121)(19-115)(20-115)(21-120)(22-139)(23-138)(24-174)(25-176)(26-123)(27-142)(28-208)(29-118)(30-137)(31-146)(32-155)(33-164)(34-143)(35-132)(36-163)(37-134)(38-154)(39-120)(40-164)(41-174)(42-151)(43-173)(44-159)(45-147)(46-176)(47-124)(48-178)(49-167)(50-122)(51-120)(52-175)(53-202)(54-167)(55-173)(56-156)(57-168)(58-209)(59-149)(60-178)(61-130)(62-175)(63-172)(64-161)(65-161)(66-166)(67-166)(68-172)(69-113)(70-117)(71-114)(72-114)(73-171)(74-162)(75-162)(76-114)(77-200)(78-171)(79-113)(80-113)(81-170)(82-144)(83-153)(84-177)(85-207)(86-177)(87-115)(88-210)(89-125)(90-150)(91-169)(92-168)(93-128)(94-157)(95-116)(96-117)(97-170)(98-118)(99-158)(100-179)(101-206)(102-179)(103-169)(104-211)(105-129)(106-152)(107-203)(108-116)(109-131)(110-116)(111-117)(112-201)(113-162)(114-200)(115-167)(116-169)(117-170)(118-163)(119-176)(120-178)(121-125)(121-206)(122-150)(122-211)(123-127)(123-129)(124-127)(124-215)(125-182)(126-130)(126-207)(128-156)(128-157)(129-216)(130-180)(131-151)(131-181)(132-133)(132-187)(133-198)(134-140)(134-183)(135-185)(135-192)(136-143)(136-220)(137-145)(137-186)(138-193)(138-194)(139-142)(139-228)(140-190)(141-184)(141-189)(142-143)(144-190)(144-191)(145-192)(146-154)(146-229)(147-149)(147-188)(148-160)(148-223)(149-193)(150-197)(151-210)(152-156)(152-227)(153-158)(153-195)(154-160)(155-198)(155-199)(157-217)(158-184)(159-195)(159-196)(161-162)(161-166)(163-164)(164-165)(165-201)(166-200)(167-202)(168-173)(168-202)(169-203)(170-201)(171-201)(171-204)(172-200)(172-204)(173-176)(174-202)(174-205)(175-203)(175-205)(177-178)(177-179)(179-203)(180-212)(180-222)(181-225)(181-226)(182-213)(182-214)(183-186)(183-191)(184-219)(185-186)(185-204)(187-188)(187-199)(188-194)(189-190)(189-209)(191-204)(192-230)(193-196)(194-205)(195-221)(196-208)(197-218)(197-224)(198-231)(199-205)(206-239)(207-233)(208-235)(209-240)(210-237)(211-241)(212-214)(212-232)(213-222)(213-239)(214-238)(215-216)(215-232)(216-238)(217-227)(217-236)(218-225)(218-242)(219-221)(219-240)(220-228)(220-234)(221-235)(222-233)(223-229)(223-243)(224-226)(224-241)(225-236)(226-237)(227-242)(228-244)(229-245)(230-234)(230-244)(231-243)(231-245)(238-246)(239-246)(240-246)(241-246)(242-246)(243-246)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SK-MEL-28477.9 10.1021/acs.inorgchem.6b02624 2017
SK-MEL-284711 10.1021/acs.inorgchem.6b02624 2017
HL60968.2 10.1021/acs.inorgchem.6b02624 2017
HL609630 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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