Info
| ID | 2779 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru3 |
| SMILES | O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C68H50FN9O2Ru/(1-100)(2-52)(3-56)(4-51)(5-55)(6-57)(7-53)(8-60)(9-102)(10-58)(11-103)(12-61)(13-59)(14-54)(15-70)(16-65)(17-69)(18-64)(19-107)(20-107)(21-84)(22-84)(23-101)(24-68)(25-85)(26-82)(27-83)(28-62)(29-67)(30-71)(31-66)(32-74)(33-75)(34-77)(35-108)(36-81)(37-85)(38-106)(39-72)(40-73)(41-63)(42-76)(43-105)(44-79)(45-78)(46-108)(47-104)(48-80)(49-120)(50-119)(51-52)(51-88)(52-59)(53-87)(53-100)(54-92)(54-102)(55-58)(55-88)(56-57)(56-86)(57-90)(58-59)(60-64)(60-91)(61-66)(61-91)(62-64)(62-66)(63-74)(63-75)(65-97)(65-103)(67-74)(67-94)(68-81)(68-95)(69-89)(69-105)(70-79)(70-93)(71-75)(71-94)(72-77)(72-98)(73-78)(73-98)(76-77)(76-78)(79-96)(80-83)(80-104)(81-106)(82-99)(82-111)(83-99)(84-85)(84-107)(85-108)(86-87)(86-109)(87-88)(89-90)(89-91)(90-110)(92-93)(92-94)(93-114)(95-111)(95-112)(96-97)(96-115)(97-98)(99-113)(100-123)(101-118)(101-121)(102-124)(103-126)(104-125)(105-127)(106-122)(107-120)(108-121)(109-110)(109-123)(110-127)(111-120)(112-113)(112-122)(113-125)(114-115)(114-124)(115-126)(116-118)(116-119)(116-128)(117-119)(117-121)(117-129)(118-130)(122-131)(123-131)(124-131)(125-131)(126-131)(127-131)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 11 | — | 10.1007/s00775-023-02039-5 | 2024 |
| MCF-7 | 12 | — | 10.1007/s00775-023-02039-5 | 2024 |
| LO2 | 15 | — | 10.1007/s00775-023-02039-5 | 2024 |
| HeLa | 18 | — | 10.1007/s00775-023-02039-5 | 2024 |
| HepG2 | 18 | — | 10.1007/s00775-023-02039-5 | 2024 |
| Caco-2 | 68 | — | 10.1007/s00775-023-02039-5 | 2024 |
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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