Info
| ID | 4261 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | RuL2 |
| SMILES | CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1 |
TUCAN
C45H49N8O2RuS2/(1-59)(2-50)(3-54)(4-55)(5-50)(6-50)(7-57)(8-58)(9-73)(10-51)(11-51)(12-51)(13-66)(14-52)(15-52)(16-52)(17-56)(18-53)(19-67)(20-80)(21-80)(22-75)(23-75)(24-75)(25-76)(26-79)(27-79)(28-78)(29-77)(30-77)(31-60)(32-81)(33-78)(34-82)(35-82)(36-61)(37-62)(38-76)(39-76)(40-74)(41-53)(42-53)(43-64)(44-65)(45-69)(46-63)(47-81)(48-70)(49-68)(50-84)(51-87)(52-88)(53-90)(54-59)(54-83)(55-59)(55-84)(56-67)(56-85)(57-67)(57-87)(58-69)(58-88)(60-61)(60-71)(61-62)(62-72)(63-64)(63-91)(64-74)(65-69)(65-86)(66-70)(66-90)(68-70)(68-89)(71-73)(71-91)(72-73)(72-92)(73-74)(74-93)(75-98)(76-98)(77-78)(77-97)(78-95)(79-80)(79-96)(80-98)(81-82)(81-97)(82-95)(83-85)(83-99)(84-99)(85-100)(86-89)(86-101)(87-100)(88-101)(89-102)(90-102)(91-97)(92-96)(92-104)(93-96)(93-103)(94-95)(94-105)(94-106)(99-107)(100-107)(101-107)(102-107)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 7.8 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| A549cisR | 8.5 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| MGC-803 | 12 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| SW480 | 13 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| A549 | 14 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| HK-2 | 34 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
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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