Info
| ID | 4812 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 3 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-Cyn-1 |
| SMILES | CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)C(C)(C)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C77H67N10ORu/(1-76)(2-83)(3-68)(4-68)(5-68)(6-69)(7-69)(8-82)(9-123)(10-73)(11-84)(12-121)(13-109)(14-89)(15-88)(16-109)(17-111)(18-124)(19-69)(20-70)(21-127)(22-96)(23-70)(24-125)(25-77)(26-80)(27-75)(28-85)(29-70)(30-95)(31-128)(32-105)(33-72)(34-106)(35-92)(36-110)(37-111)(38-87)(39-71)(40-71)(41-98)(42-91)(43-107)(44-90)(45-110)(46-99)(47-81)(48-74)(49-121)(50-126)(51-100)(52-71)(53-97)(54-108)(55-103)(56-79)(57-78)(58-121)(59-122)(60-102)(61-122)(62-86)(63-93)(64-122)(65-94)(66-104)(67-101)(68-119)(69-119)(70-120)(71-120)(72-73)(72-129)(73-76)(74-75)(74-130)(75-77)(76-123)(77-124)(78-79)(78-80)(79-131)(80-127)(81-82)(81-135)(82-83)(83-84)(84-93)(85-86)(85-144)(86-112)(87-106)(87-125)(88-89)(88-95)(89-113)(90-100)(90-107)(91-92)(91-133)(92-114)(93-135)(94-97)(94-112)(95-96)(96-134)(97-144)(98-99)(98-115)(99-136)(100-108)(101-104)(101-138)(102-103)(102-116)(103-126)(104-105)(105-128)(106-118)(107-117)(108-141)(109-110)(109-114)(110-111)(111-115)(112-142)(113-119)(113-134)(114-143)(115-143)(116-132)(116-140)(117-120)(117-141)(118-137)(118-139)(119-133)(120-136)(121-146)(122-147)(123-149)(124-150)(125-145)(126-152)(127-153)(128-154)(129-130)(129-149)(130-150)(131-138)(131-153)(132-137)(132-152)(133-146)(134-146)(135-148)(136-147)(137-145)(138-154)(139-140)(139-148)(140-151)(141-147)(142-148)(142-151)(143-155)(144-155)(149-156)(150-156)(151-156)(152-156)(153-156)(154-156)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CT-26 | 18 | 0.17 | 10.1002/chem.202301742 | 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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