Info
| ID | 3058 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 2} |
| Abbreviation | 5 |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C70H51N2O3P2Ru/(1-63)(2-54)(3-66)(4-52)(5-53)(6-57)(7-68)(8-58)(9-98)(10-55)(11-59)(12-61)(13-60)(14-62)(15-64)(16-56)(17-76)(18-65)(19-67)(20-80)(21-72)(22-77)(23-88)(24-69)(25-70)(26-81)(27-109)(28-85)(29-87)(30-110)(31-96)(32-89)(33-73)(34-97)(35-99)(36-83)(37-86)(38-79)(39-82)(40-84)(41-95)(42-92)(43-90)(44-91)(45-100)(46-94)(47-93)(48-71)(49-78)(50-74)(51-75)(52-54)(52-63)(53-57)(53-63)(54-116)(55-56)(55-73)(56-102)(57-116)(58-61)(58-66)(59-62)(59-66)(60-64)(60-68)(61-117)(62-117)(64-118)(65-67)(65-68)(67-118)(69-70)(69-119)(70-80)(71-78)(71-101)(72-77)(72-104)(73-76)(74-75)(74-78)(75-106)(76-88)(77-105)(79-81)(79-119)(80-81)(82-83)(82-120)(83-85)(84-86)(84-120)(85-86)(87-103)(87-109)(88-102)(89-96)(89-100)(90-92)(90-121)(91-92)(91-94)(93-94)(93-121)(95-99)(95-100)(96-108)(97-107)(97-110)(98-113)(98-115)(99-108)(101-106)(101-113)(102-103)(103-104)(104-111)(105-107)(105-112)(106-114)(107-108)(109-122)(110-123)(111-112)(111-122)(112-123)(113-124)(114-115)(114-125)(115-126)(116-127)(117-127)(118-127)(119-128)(120-128)(121-128)(122-129)(123-129)(127-129)(128-129)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.09 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MCF-7 | 0.13 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| DU-145 | 0.77 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
| MRC-5 | 1.4 | — | 10.1016/j.jinorgbio.2017.08.01... | 2017 |
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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