Info
| ID | 4603 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4, "P": 2} |
| Abbreviation | 3 |
| SMILES | [O-]C(=NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C68H57N4OP2RuS/(1-58)(2-61)(3-59)(4-62)(5-60)(6-70)(7-78)(8-64)(9-63)(10-79)(11-65)(12-71)(13-89)(14-73)(15-66)(16-67)(17-68)(18-69)(19-114)(20-114)(21-75)(22-83)(23-80)(24-72)(25-74)(26-86)(27-76)(28-106)(29-107)(30-77)(31-87)(32-81)(33-82)(34-101)(35-112)(36-84)(37-113)(38-96)(39-88)(40-115)(41-115)(42-95)(43-85)(44-97)(45-102)(46-92)(47-103)(48-98)(49-99)(50-91)(51-100)(52-90)(53-94)(54-93)(55-108)(56-105)(57-104)(58-60)(58-61)(59-61)(59-63)(60-119)(62-65)(62-70)(63-119)(64-70)(64-71)(65-120)(66-67)(66-109)(67-68)(68-69)(69-77)(71-120)(72-73)(72-121)(73-80)(74-75)(74-121)(75-80)(76-88)(76-107)(77-109)(78-79)(78-89)(79-112)(81-83)(81-86)(82-83)(82-122)(84-86)(84-122)(85-87)(85-123)(87-96)(88-110)(89-116)(90-93)(90-111)(91-92)(91-117)(92-95)(93-94)(94-104)(95-113)(96-101)(97-101)(97-123)(98-102)(98-103)(99-102)(99-124)(100-103)(100-124)(104-108)(105-106)(105-110)(106-107)(108-111)(109-114)(110-115)(111-118)(112-127)(113-128)(114-126)(115-126)(116-117)(116-127)(117-128)(118-129)(118-130)(119-131)(120-131)(121-131)(122-132)(123-132)(124-132)(125-126)(125-129)(125-133)(127-134)(128-134)(129-134)(131-134)(132-134)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.22 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| A549 | 0.68 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| L-929 | 2.5 | — | 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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