Info
| ID | 3312 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 8 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2 |
| SMILES | CC[N+](CC)(CC)Cc1ccnc(-c2cc(C[N+](CC)(CC)CC)ccn2)c1.CC[N+](CC)(CC)Cc1ccnc(-c2cc(C[N+](CC)(CC)CC)ccn2)c1.CC[N+](CC)(CC)Cc1ccnc(-c2cc(C[N+](CC)(CC)CC)ccn2)c1 |
TUCAN
C72H120N12Ru/(1-164)(2-163)(3-121)(4-121)(5-140)(6-164)(7-142)(8-163)(9-121)(10-168)(11-165)(12-122)(13-157)(14-165)(15-139)(16-166)(17-122)(18-158)(19-122)(20-123)(21-166)(22-167)(23-167)(24-123)(25-123)(26-169)(27-168)(28-175)(29-124)(30-169)(31-144)(32-159)(33-141)(34-170)(35-170)(36-124)(37-124)(38-175)(39-180)(40-171)(41-171)(42-180)(43-181)(44-125)(45-172)(46-125)(47-125)(48-126)(49-172)(50-126)(51-126)(52-173)(53-127)(54-127)(55-127)(56-143)(57-128)(58-128)(59-128)(60-129)(61-129)(62-129)(63-173)(64-145)(65-146)(66-130)(67-130)(68-160)(69-130)(70-174)(71-174)(72-176)(73-131)(74-176)(75-131)(76-131)(77-132)(78-177)(79-177)(80-178)(81-178)(82-132)(83-132)(84-133)(85-147)(86-161)(87-179)(88-133)(89-149)(90-181)(91-133)(92-134)(93-134)(94-179)(95-134)(96-135)(97-183)(98-135)(99-183)(100-150)(101-135)(102-184)(103-184)(104-182)(105-185)(106-136)(107-136)(108-136)(109-137)(110-137)(111-182)(112-137)(113-185)(114-148)(115-186)(116-138)(117-138)(118-138)(119-162)(120-186)(121-163)(122-165)(123-166)(124-167)(125-169)(126-170)(127-171)(128-172)(129-173)(130-174)(131-176)(132-177)(133-178)(134-179)(135-183)(136-184)(137-185)(138-186)(139-151)(139-157)(140-151)(140-187)(141-152)(141-158)(142-152)(142-188)(143-153)(143-159)(144-153)(144-189)(145-154)(145-190)(146-154)(146-160)(147-155)(147-191)(148-156)(148-192)(149-155)(149-161)(150-156)(150-162)(151-164)(152-168)(153-175)(154-180)(155-181)(156-182)(157-199)(158-200)(159-201)(160-202)(161-203)(162-204)(163-193)(164-193)(165-193)(166-193)(167-194)(168-194)(169-194)(170-194)(171-195)(172-195)(173-195)(174-196)(175-195)(176-196)(177-196)(178-197)(179-197)(180-196)(181-197)(182-198)(183-197)(184-198)(185-198)(186-198)(187-188)(187-199)(188-200)(189-191)(189-201)(190-192)(190-202)(191-203)(192-204)(199-205)(200-205)(201-205)(202-205)(203-205)(204-205)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4.2e+02 | 2.2 | 10.1002/anie.201507800 | 2015 |
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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