Info
| ID | 142 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 2 |
| SMILES | CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C1c2ccccc2C(=O)N1CCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 |
TUCAN
C66H52BF2N9O3Ru/(1-74)(2-84)(3-67)(4-68)(5-55)(6-103)(7-63)(8-69)(9-61)(10-80)(11-65)(12-102)(13-60)(14-55)(15-55)(16-85)(17-99)(18-62)(19-71)(20-78)(21-66)(22-54)(23-56)(24-101)(25-116)(26-73)(27-82)(28-54)(29-116)(30-64)(31-58)(32-88)(33-59)(34-88)(35-54)(36-103)(37-79)(38-70)(39-100)(40-76)(41-81)(42-86)(43-77)(44-57)(45-87)(46-57)(47-56)(48-56)(49-83)(50-72)(51-57)(52-75)(53-122)(53-123)(53-132)(53-133)(54-106)(55-92)(56-98)(57-109)(58-61)(58-67)(59-95)(59-112)(60-66)(60-117)(61-100)(62-95)(62-111)(63-65)(63-90)(64-76)(64-101)(65-79)(66-89)(67-104)(68-92)(68-106)(69-70)(69-91)(70-93)(71-85)(71-114)(72-87)(72-91)(73-82)(73-102)(74-85)(74-99)(75-98)(75-109)(76-80)(77-78)(77-89)(78-117)(79-81)(80-105)(81-96)(82-84)(83-97)(83-108)(84-113)(86-97)(86-115)(87-93)(88-103)(88-116)(89-95)(90-96)(90-118)(91-97)(92-107)(93-94)(94-107)(94-110)(96-119)(98-110)(99-127)(100-128)(101-120)(102-121)(103-124)(104-111)(104-128)(105-112)(105-120)(106-122)(107-122)(108-114)(108-126)(109-123)(110-123)(111-125)(112-125)(113-115)(113-121)(114-127)(115-126)(116-131)(117-131)(118-124)(118-129)(119-124)(119-130)(125-134)(126-134)(127-134)(128-134)(131-134)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 1 | 10.1021/acs.inorgchem.1c01850 | 2021 |
| HeLa | — | 0.27 | 10.1021/acs.inorgchem.1c01850 | 2021 |
| HPL1D | — | 2.6 | 10.1021/acs.inorgchem.1c01850 | 2021 |
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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