Info
| ID | 1038 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CC1=CC(C)=[N+]2C1=C(c1ccc(CN(Cc3ccccn3)Cc3ccccn3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C(CCCC[C@H]1SC[C@H]2NC(O)N[C@H]21)Nc1cc2cccnc2c2ncccc12.[Cl-] |
TUCAN
C54H57BF2N10O2RuS/(1-73)(2-71)(3-60)(4-60)(5-81)(6-67)(7-59)(8-81)(9-93)(10-59)(11-107)(12-60)(13-69)(14-95)(15-70)(16-110)(17-95)(18-63)(19-91)(20-61)(21-61)(22-59)(23-62)(24-62)(25-74)(26-75)(27-82)(28-111)(29-66)(30-112)(31-83)(32-108)(33-82)(34-92)(35-83)(36-111)(37-76)(38-64)(39-80)(40-80)(41-65)(42-62)(43-97)(44-97)(45-96)(46-77)(47-72)(48-96)(49-94)(50-78)(51-68)(52-79)(53-61)(54-113)(55-115)(56-114)(57-124)(58-116)(58-117)(58-125)(58-126)(59-100)(60-87)(61-90)(62-104)(63-66)(63-91)(64-85)(64-103)(65-75)(65-85)(66-84)(67-69)(67-86)(68-77)(68-86)(69-88)(70-71)(70-73)(71-93)(72-78)(72-79)(73-101)(74-87)(74-100)(75-92)(76-90)(76-104)(77-88)(78-94)(79-106)(80-81)(80-83)(81-109)(82-83)(82-112)(84-98)(84-103)(85-99)(86-96)(87-102)(88-89)(89-102)(89-105)(90-105)(91-122)(92-119)(93-120)(94-121)(95-101)(95-118)(96-118)(97-106)(97-118)(98-99)(98-122)(99-119)(100-116)(101-120)(102-116)(103-115)(104-117)(105-117)(106-121)(107-108)(107-112)(107-113)(108-111)(108-114)(109-115)(109-123)(110-113)(110-114)(110-124)(111-127)(112-127)(119-128)(120-128)(121-128)(122-128)(124-128)(127-128)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 0.98 | 10.1021/acs.inorgchem.9b03178 | 2020 |
| HPL1D | — | 3.9 | 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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