Info
| ID | 4602 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4, "P": 2} |
| Abbreviation | 2 |
| SMILES | [O-]C(=NC(=S)N(c1ccccc1)c1ccccc1)c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C64H51N4O2P2RuS/(1-61)(2-56)(3-62)(4-63)(5-64)(6-52)(7-81)(8-65)(9-69)(10-92)(11-71)(12-72)(13-75)(14-76)(15-58)(16-59)(17-60)(18-57)(19-106)(20-80)(21-95)(22-53)(23-77)(24-54)(25-55)(26-66)(27-68)(28-67)(29-91)(30-78)(31-94)(32-79)(33-96)(34-86)(35-88)(36-70)(37-73)(38-74)(39-82)(40-97)(41-93)(42-98)(43-100)(44-89)(45-83)(46-84)(47-101)(48-90)(49-85)(50-99)(51-87)(52-56)(52-109)(53-63)(53-109)(54-64)(54-110)(55-65)(55-110)(56-61)(57-58)(57-102)(58-59)(59-60)(60-67)(61-63)(62-64)(62-65)(66-71)(66-111)(67-102)(68-72)(68-111)(69-71)(69-72)(70-76)(70-112)(73-77)(73-112)(74-86)(74-113)(75-76)(75-77)(78-94)(78-103)(79-81)(79-100)(80-91)(80-106)(81-92)(82-86)(82-88)(83-88)(83-113)(84-89)(84-90)(85-89)(85-114)(87-90)(87-114)(91-107)(92-104)(93-98)(93-103)(94-97)(95-96)(95-105)(96-99)(97-98)(99-101)(100-117)(101-118)(102-116)(103-116)(104-105)(104-117)(105-118)(106-121)(107-108)(107-121)(108-119)(108-120)(109-122)(110-122)(111-122)(112-123)(113-123)(114-123)(115-116)(115-119)(115-124)(117-125)(118-125)(119-125)(121-125)(122-125)(123-125)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.46 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| A549 | 0.93 | — | 10.1016/j.jinorgbio.2015.04.00... | 2015 |
| L-929 | 2 | — | 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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