Info
| ID | 1636 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2b |
| SMILES | Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C86H73ClN12O2RuS/(1-116)(2-77)(3-117)(4-78)(5-79)(6-83)(7-90)(8-81)(9-80)(10-86)(11-82)(12-92)(13-137)(14-85)(15-76)(16-87)(17-88)(18-138)(19-116)(20-91)(21-120)(22-111)(23-108)(24-120)(25-119)(26-119)(27-74)(28-74)(29-75)(30-75)(31-74)(32-75)(33-113)(34-112)(35-118)(36-118)(37-117)(38-115)(39-152)(40-144)(41-93)(42-97)(43-84)(44-89)(45-95)(46-99)(47-96)(48-98)(49-103)(50-144)(51-102)(52-107)(53-140)(54-143)(55-143)(56-114)(57-109)(58-139)(59-101)(60-104)(61-142)(62-94)(63-100)(64-106)(65-76)(66-110)(67-114)(68-76)(69-105)(70-141)(71-115)(72-162)(73-161)(74-128)(75-157)(76-154)(77-79)(77-126)(78-80)(78-126)(79-86)(80-86)(81-123)(81-137)(82-83)(82-87)(83-130)(84-87)(84-90)(85-88)(85-121)(88-122)(89-92)(89-96)(90-130)(91-124)(91-138)(92-132)(93-136)(93-148)(94-131)(94-139)(95-96)(95-99)(97-98)(97-125)(98-133)(99-132)(100-101)(100-135)(101-107)(102-103)(102-109)(103-140)(104-105)(104-107)(105-135)(106-134)(106-142)(108-111)(108-159)(109-151)(110-136)(110-141)(111-127)(112-113)(112-127)(113-159)(114-116)(114-144)(115-152)(115-156)(116-117)(117-120)(118-119)(118-120)(119-143)(121-123)(121-145)(122-124)(122-146)(123-126)(124-130)(125-131)(125-149)(127-147)(128-129)(128-157)(129-147)(129-158)(131-132)(133-134)(133-150)(134-135)(136-155)(137-166)(138-167)(139-168)(140-160)(141-170)(142-169)(143-161)(144-162)(145-146)(145-166)(146-167)(147-171)(148-151)(148-170)(149-150)(149-168)(150-169)(151-160)(152-153)(152-171)(153-163)(153-164)(154-163)(154-165)(155-162)(155-172)(156-161)(156-173)(157-174)(158-163)(158-174)(159-175)(164-165)(166-176)(167-176)(168-176)(169-176)(170-176)(171-176)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 46 | — | 10.1002/ange.202505689 | 2025 |
| HLF | 46 | — | 10.1002/ange.202505689 | 2025 |
| cmt167 | 54 | — | 10.1002/ange.202505689 | 2025 |
| A549cisR | — | — | 10.1002/ange.202505689 | 2025 |
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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