Info
| ID | 249 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5, "P": 2} |
| Abbreviation | 2 |
| SMILES | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C58H54N5P2Ru/(1-60)(2-59)(3-65)(4-68)(5-63)(6-64)(7-61)(8-62)(9-66)(10-69)(11-55)(12-85)(13-55)(14-55)(15-72)(16-70)(17-73)(18-74)(19-71)(20-76)(21-78)(22-80)(23-87)(24-82)(25-56)(26-56)(27-86)(28-94)(29-106)(30-105)(31-95)(32-104)(33-104)(34-96)(35-67)(36-83)(37-89)(38-77)(39-79)(40-81)(41-90)(42-88)(43-91)(44-93)(45-92)(46-75)(47-56)(48-57)(49-84)(50-57)(51-57)(52-58)(53-58)(54-58)(55-100)(56-100)(57-101)(58-101)(59-60)(59-107)(60-65)(61-63)(61-107)(62-64)(62-108)(63-65)(64-68)(66-69)(66-108)(67-97)(67-98)(68-69)(70-73)(70-109)(71-74)(71-109)(72-73)(72-74)(75-97)(75-99)(76-80)(76-110)(77-82)(77-110)(78-80)(78-82)(79-83)(79-111)(81-89)(81-111)(83-87)(84-98)(84-99)(85-86)(85-94)(86-95)(87-89)(88-90)(88-112)(90-91)(91-93)(92-93)(92-112)(94-96)(95-96)(97-104)(98-100)(99-101)(100-102)(101-103)(102-113)(103-114)(104-115)(105-115)(105-116)(106-116)(106-117)(107-118)(108-118)(109-118)(110-119)(111-119)(112-119)(115-117)(116-120)(117-120)(118-120)(119-120)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| T47D | 0.32 | — | 10.1016/j.ejmech.2019.112030 | 2020 |
| MDA-MB-231 | 0.39 | — | 10.1016/j.ejmech.2019.112030 | 2020 |
| MCF-7 | 0.5 | — | 10.1016/j.ejmech.2019.112030 | 2020 |
| MCF-12A | 0.58 | — | 10.1016/j.ejmech.2019.112030 | 2020 |
| NCI-H295R | 0.63 | — | 10.1016/j.ejmech.2019.112030 | 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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