Info
| ID | 2966 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 19 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCCCCCCCCCCCc1ncc[nH]1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(NCCCCCCCCCCCCc1ncc[nH]1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-] |
TUCAN
C70H88Cl4N10O2Ru/(1-140)(2-99)(3-105)(4-143)(5-98)(6-92)(7-94)(8-90)(9-112)(10-138)(11-93)(12-96)(13-115)(14-119)(15-114)(16-113)(17-143)(18-126)(19-144)(20-110)(21-125)(22-97)(23-142)(24-117)(25-111)(26-106)(27-121)(28-107)(29-112)(30-103)(31-102)(32-139)(33-111)(34-115)(35-126)(36-129)(37-117)(38-124)(39-113)(40-125)(41-119)(42-110)(43-121)(44-90)(45-95)(46-89)(47-89)(48-90)(49-101)(50-122)(51-123)(52-114)(53-116)(54-129)(55-144)(56-120)(57-127)(58-145)(59-141)(60-124)(61-131)(62-100)(63-130)(64-108)(65-128)(66-104)(67-145)(68-123)(69-122)(70-116)(71-146)(72-146)(73-118)(74-118)(75-127)(76-128)(77-120)(78-130)(79-131)(80-91)(81-109)(82-91)(83-89)(84-91)(85-160)(86-159)(87-161)(88-162)(89-132)(90-138)(91-138)(92-99)(92-147)(93-94)(93-132)(94-133)(95-109)(95-133)(96-155)(96-156)(97-101)(97-136)(98-99)(98-105)(100-106)(100-149)(101-155)(102-104)(102-137)(103-157)(103-158)(104-158)(105-134)(106-108)(107-108)(107-135)(109-132)(110-119)(110-121)(111-115)(111-121)(112-124)(112-125)(113-115)(113-125)(114-117)(114-126)(116-122)(116-127)(117-128)(118-124)(118-129)(119-151)(120-123)(120-130)(122-131)(123-152)(126-144)(127-128)(129-146)(130-131)(133-138)(134-147)(134-148)(135-149)(135-150)(136-143)(136-156)(137-145)(137-157)(139-140)(139-165)(140-159)(141-142)(141-166)(142-162)(143-163)(144-160)(145-164)(146-161)(147-163)(148-153)(148-167)(149-164)(150-154)(150-168)(151-159)(151-165)(152-162)(152-166)(153-160)(153-169)(154-161)(154-170)(155-172)(156-171)(157-173)(158-174)(163-167)(164-168)(165-175)(166-175)(167-175)(168-175)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 9 | — | 10.3390/pharmaceutics15051366 | 2023 |
| HCT-116 | 9 | — | 10.3390/pharmaceutics15051366 | 2023 |
| SW480 | 10 | — | 10.3390/pharmaceutics15051366 | 2023 |
| MCF-7 | 15 | — | 10.3390/pharmaceutics15051366 | 2023 |
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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