Info
| ID | 1040 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 5 |
| SMILES | COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(CN(Cc5ccccn5)Cc5ccccn5)cc4)c4c(C)cc(/C=C/c5ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c5)n4[B-]3(F)F)C(C)=C2)cc1OCCOCCOCCOC.O=C(CCCC[C@@H]1SC[C@@H]2NC(O)N[C@@H]21)Nc1cc2ccc... |
TUCAN
C96BClF2N10O18RuS/(1-105)(1-106)(1-126)(1-127)(2-39)(3-42)(4-39)(4-53)(5-7)(5-36)(6-30)(6-97)(7-40)(8-15)(8-37)(9-22)(9-52)(10-42)(10-55)(11-32)(11-53)(12-33)(12-41)(13-34)(13-55)(14-17)(14-36)(15-90)(16-22)(16-49)(17-40)(18-37)(18-91)(19-26)(19-35)(20-41)(20-92)(21-35)(21-59)(23-28)(23-47)(24-25)(24-27)(25-56)(26-46)(27-50)(28-43)(29-30)(29-31)(31-94)(32-37)(33-93)(34-41)(35-57)(36-38)(38-54)(38-61)(39-54)(40-48)(42-61)(43-58)(43-59)(44-52)(44-107)(45-56)(45-107)(46-99)(47-102)(48-107)(49-100)(50-104)(51-60)(51-97)(51-103)(52-100)(53-105)(54-105)(55-106)(56-104)(57-58)(57-99)(58-102)(59-101)(60-96)(60-98)(61-106)(62-114)(63-112)(64-119)(65-120)(66-67)(66-117)(67-118)(68-75)(68-115)(69-74)(69-115)(70-89)(70-116)(71-86)(71-116)(72-73)(72-110)(73-114)(74-110)(75-113)(76-81)(76-121)(77-82)(77-111)(78-84)(78-123)(79-80)(79-117)(80-111)(81-122)(82-112)(83-85)(83-121)(84-120)(85-125)(86-123)(87-88)(87-119)(88-125)(89-124)(90-91)(90-113)(91-118)(92-93)(92-122)(93-124)(94-101)(94-109)(95-98)(95-103)(95-108)(96-128)(97-128)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 0.02 | 10.1021/acs.inorgchem.9b03178 | 2020 |
| HPL1D | — | 0.09 | 10.1021/acs.inorgchem.9b03178 | 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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