Info
| ID | 1021 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CCCCC(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.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1c... |
TUCAN
C112H110N12RuS2/(1-151)(2-193)(3-116)(4-114)(5-159)(6-152)(7-122)(8-145)(9-164)(10-112)(11-158)(12-116)(13-165)(14-151)(15-135)(16-116)(17-129)(18-138)(19-200)(20-119)(21-126)(22-142)(23-131)(24-137)(25-118)(26-124)(27-133)(28-111)(29-136)(30-123)(31-127)(32-163)(33-139)(34-158)(35-154)(36-114)(37-164)(38-163)(39-112)(40-140)(41-159)(42-152)(43-114)(44-118)(45-167)(46-112)(47-125)(48-169)(49-147)(50-117)(51-153)(52-111)(53-165)(54-205)(55-167)(56-144)(57-128)(58-197)(59-118)(60-111)(61-202)(62-203)(63-132)(64-141)(65-194)(66-117)(67-154)(68-153)(69-117)(70-120)(71-169)(72-134)(73-155)(74-113)(75-113)(76-156)(77-161)(78-156)(79-157)(80-191)(81-157)(82-113)(83-155)(84-115)(85-166)(86-146)(87-204)(88-168)(89-199)(90-198)(91-130)(92-170)(93-121)(94-161)(95-192)(96-115)(97-160)(98-166)(99-150)(100-168)(101-201)(102-149)(103-206)(104-143)(105-170)(106-148)(107-162)(108-162)(109-115)(110-160)(111-153)(112-151)(113-157)(114-158)(115-160)(116-163)(117-166)(118-167)(119-150)(119-171)(120-147)(120-206)(121-148)(121-205)(122-140)(122-211)(123-129)(123-172)(124-125)(124-138)(125-212)(126-176)(126-179)(127-128)(127-174)(128-181)(129-184)(130-177)(130-178)(131-183)(131-186)(132-180)(132-187)(133-139)(133-220)(134-135)(134-179)(135-173)(136-175)(136-181)(137-138)(137-219)(139-140)(141-144)(141-187)(142-143)(142-178)(143-185)(144-183)(145-182)(145-184)(146-149)(146-200)(147-189)(148-190)(149-188)(150-204)(151-191)(152-154)(152-191)(153-154)(155-156)(155-192)(156-157)(158-159)(159-164)(160-192)(161-191)(161-195)(162-192)(162-195)(163-193)(164-193)(165-193)(165-196)(166-170)(167-194)(168-194)(168-196)(169-170)(169-194)(171-207)(171-218)(172-182)(172-185)(173-174)(173-176)(174-175)(175-195)(176-195)(177-185)(177-196)(178-186)(179-222)(180-181)(180-202)(182-196)(183-214)(184-221)(186-203)(187-213)(188-215)(188-216)(189-208)(189-217)(190-209)(190-210)(197-198)(197-223)(198-229)(199-201)(199-224)(200-230)(201-231)(202-233)(203-226)(204-234)(205-227)(206-228)(207-208)(207-229)(208-223)(209-216)(209-224)(210-215)(210-227)(211-220)(211-232)(212-219)(212-225)(213-214)(213-233)(214-226)(215-230)(216-231)(217-218)(217-228)(218-234)(219-236)(220-235)(221-232)(221-235)(222-225)(222-236)(229-237)(230-237)(231-237)(232-237)(233-237)(234-237)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SK-MEL-28 | 84 | 8.4 | 10.1021/acs.inorgchem.6b02624 | 2017 |
| SK-MEL-28 | 84 | 19 | 10.1021/acs.inorgchem.6b02624 | 2017 |
| HL60 | 1.5e+02 | 15 | 10.1021/acs.inorgchem.6b02624 | 2017 |
| HL60 | 1.5e+02 | 38 | 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.
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