Info
| ID | 1270 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 6, "P": 1, "O": 1} |
| Abbreviation | Complex 3 |
| SMILES | C1N2CN3CN1CP(C2)C3.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.COc1ccc2cc(C(C)C(=O)Nc3cc(-[n+]4[c-]n(C)c5ccccc54)[c-]c(-[n+]4[c-]n(C)c5ccccc54)c3)ccc2c1 |
TUCAN
C55H59N8O4PRu/(1-61)(2-68)(3-61)(4-72)(5-61)(6-73)(7-94)(8-76)(9-80)(10-78)(11-92)(12-81)(13-71)(14-85)(15-85)(16-60)(17-83)(18-84)(19-94)(20-77)(21-69)(22-112)(23-105)(24-105)(25-112)(26-113)(27-74)(28-70)(29-94)(30-67)(31-75)(32-108)(33-95)(34-91)(35-95)(36-108)(37-82)(38-95)(39-66)(40-79)(41-108)(42-65)(43-63)(44-63)(45-63)(46-113)(47-60)(48-60)(49-93)(50-106)(51-106)(52-62)(53-62)(54-62)(55-107)(56-107)(57-114)(58-114)(59-115)(60-93)(61-91)(62-93)(63-92)(64-96)(64-100)(65-82)(65-109)(66-86)(66-87)(67-68)(67-99)(68-73)(69-96)(69-101)(70-100)(70-101)(71-81)(71-90)(72-73)(72-97)(74-77)(74-88)(75-78)(75-79)(76-88)(76-109)(77-87)(78-80)(79-102)(80-98)(81-89)(82-86)(83-84)(83-90)(84-89)(85-90)(85-93)(86-88)(87-91)(89-92)(91-110)(92-111)(94-116)(95-121)(96-120)(97-99)(97-116)(98-102)(98-121)(99-120)(100-122)(101-115)(102-122)(103-116)(103-120)(104-121)(104-122)(105-117)(105-119)(106-117)(106-118)(107-118)(107-119)(108-126)(109-126)(110-115)(110-125)(111-123)(111-124)(112-117)(112-127)(113-118)(113-127)(114-119)(114-127)(126-128)(127-128)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 0.91 | — | 10.1039/c8dt03266a | 2019 |
| MDA-MB-231 | 1.3 | — | 10.1039/c8dt03266a | 2019 |
| MCF-10A | 4.7 | — | 10.1039/c8dt03266a | 2019 |
| HT-29 | 36 | — | 10.1039/c8dt03266a | 2019 |
| HEK293 | 1.1e+02 | — | 10.1039/c8dt03266a | 2019 |
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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