Info
| ID | 3045 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3 a |
| SMILES | CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C78H62N8Ru/(1-71)(2-64)(3-127)(4-128)(5-66)(6-63)(7-69)(8-74)(9-65)(10-72)(11-75)(12-81)(13-67)(14-68)(15-85)(16-95)(17-123)(18-123)(19-123)(20-124)(21-124)(22-79)(23-124)(24-125)(25-78)(26-76)(27-90)(28-80)(29-92)(30-77)(31-130)(32-94)(33-93)(34-103)(35-101)(36-125)(37-73)(38-82)(39-88)(40-96)(41-89)(42-84)(43-97)(44-70)(45-125)(46-91)(47-126)(48-132)(49-105)(50-98)(51-129)(52-83)(53-99)(54-87)(55-104)(56-86)(57-100)(58-131)(59-126)(60-102)(61-126)(62-106)(63-64)(63-108)(64-71)(65-66)(65-108)(66-71)(67-70)(67-107)(68-74)(68-110)(69-109)(69-127)(70-113)(72-74)(72-75)(73-81)(73-82)(75-85)(76-79)(76-111)(77-112)(77-133)(78-80)(78-112)(79-137)(80-111)(81-88)(82-89)(83-86)(83-116)(84-87)(84-97)(85-110)(86-118)(87-99)(88-114)(89-114)(90-93)(90-111)(91-115)(91-134)(92-101)(92-115)(93-137)(94-112)(94-130)(95-117)(95-128)(96-119)(96-129)(97-120)(98-99)(98-120)(100-121)(100-131)(101-122)(102-115)(102-132)(103-104)(103-140)(104-122)(105-106)(105-140)(106-122)(107-109)(107-135)(108-109)(110-117)(113-117)(113-136)(114-119)(116-119)(116-138)(118-121)(118-139)(120-121)(123-141)(124-141)(125-142)(126-142)(127-144)(128-145)(129-146)(130-143)(131-148)(132-147)(133-134)(133-143)(134-147)(135-136)(135-144)(136-145)(137-141)(138-139)(138-146)(139-148)(140-142)(143-149)(144-149)(145-149)(146-149)(147-149)(148-149)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 28 | 8.9 | 10.1002/chem.202003486 | 2020 |
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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