Info
| ID | 4604 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4, "P": 2} |
| Abbreviation | 4 |
| SMILES | [O-]C(=NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C66H55N4O2P2RuS/(1-58)(2-59)(3-69)(4-61)(5-63)(6-56)(7-86)(8-57)(9-70)(10-74)(11-76)(12-71)(13-60)(14-77)(15-65)(16-64)(17-67)(18-108)(19-66)(20-73)(21-75)(22-82)(23-62)(24-80)(25-83)(26-68)(27-72)(28-99)(29-108)(30-109)(31-101)(32-84)(33-78)(34-79)(35-106)(36-81)(37-107)(38-109)(39-91)(40-95)(41-85)(42-93)(43-92)(44-89)(45-94)(46-96)(47-88)(48-97)(49-98)(50-112)(51-90)(52-102)(53-103)(54-100)(55-87)(56-59)(56-115)(57-61)(57-115)(58-59)(58-61)(60-63)(60-116)(62-70)(62-116)(63-69)(64-65)(64-67)(65-66)(66-73)(67-104)(68-71)(68-117)(69-70)(71-76)(72-77)(72-117)(73-104)(74-75)(74-86)(75-106)(76-77)(78-80)(78-118)(79-83)(79-118)(80-82)(81-84)(81-119)(82-83)(84-93)(85-95)(85-119)(86-110)(87-90)(87-112)(88-89)(88-111)(89-91)(90-113)(91-107)(92-96)(92-120)(93-95)(94-98)(94-120)(96-97)(97-98)(99-101)(99-105)(100-101)(100-103)(102-103)(102-105)(104-108)(105-109)(106-123)(107-124)(108-122)(109-122)(110-111)(110-123)(111-124)(112-127)(113-114)(113-127)(114-125)(114-126)(115-128)(116-128)(117-128)(118-129)(119-129)(120-129)(121-122)(121-125)(121-130)(123-131)(124-131)(125-131)(127-131)(128-131)(129-131)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.44 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| A549 | 0.57 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| L-929 | 1.1 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
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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