Info
| ID | 3925 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "N": 1, "P": 4} |
| Abbreviation | Ru1 |
| SMILES | [S-]c1nccs1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C55H50NP4RuS2/(1-51)(2-52)(3-53)(4-60)(5-54)(6-56)(7-92)(8-57)(9-62)(10-59)(11-55)(12-66)(13-92)(14-93)(15-61)(16-67)(17-58)(18-68)(19-63)(20-65)(21-69)(22-64)(23-104)(24-93)(25-70)(26-72)(27-71)(28-73)(29-74)(30-91)(31-75)(32-77)(33-78)(34-76)(35-81)(36-94)(37-94)(38-80)(39-84)(40-86)(41-79)(42-88)(43-85)(44-82)(45-87)(46-83)(47-90)(48-89)(49-95)(50-95)(51-54)(51-96)(52-56)(52-96)(53-57)(53-97)(54-55)(55-56)(57-58)(58-59)(59-60)(60-97)(61-62)(61-64)(62-98)(63-64)(63-66)(65-67)(65-73)(66-98)(67-99)(68-69)(68-99)(69-73)(70-71)(70-100)(71-75)(72-74)(72-100)(74-75)(76-77)(76-81)(77-101)(78-80)(78-101)(79-84)(79-102)(80-81)(82-86)(82-102)(83-88)(83-103)(84-85)(85-86)(87-88)(87-90)(89-90)(89-103)(91-104)(91-106)(92-93)(92-107)(93-108)(94-95)(94-109)(95-110)(96-107)(97-107)(98-108)(99-108)(100-109)(101-109)(102-110)(103-110)(104-112)(105-106)(105-111)(105-112)(106-113)(107-113)(108-113)(109-113)(110-113)(112-113)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.03 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
| A549 | 0.07 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
| DU-145 | 0.35 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
| MRC-5 | 0.79 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
| HepG2 | 1.9 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
| MCF-7 | 3.7 | — | 10.1021/acs.inorgchem.1c01539 | 2021 |
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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