Info
| ID | 4262 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5, "S": 1} |
| Abbreviation | RuL3 |
| SMILES | CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C45H41N8O2RuS2/(1-43)(2-69)(3-53)(4-48)(5-52)(6-49)(7-42)(8-70)(9-46)(10-44)(11-66)(12-45)(13-67)(14-67)(15-78)(16-78)(17-67)(18-68)(19-50)(20-51)(21-77)(22-77)(23-68)(24-68)(25-54)(26-55)(27-73)(28-74)(29-74)(30-73)(31-56)(32-58)(33-71)(34-72)(35-75)(36-76)(37-76)(38-75)(39-65)(40-47)(41-57)(42-44)(42-69)(43-53)(43-59)(44-59)(45-46)(45-60)(46-70)(47-56)(47-71)(48-49)(48-66)(49-83)(50-51)(50-52)(51-61)(52-64)(53-60)(54-55)(54-62)(55-63)(56-62)(57-58)(57-72)(58-63)(59-79)(60-80)(61-65)(61-85)(62-81)(63-82)(64-65)(64-83)(65-66)(66-84)(67-89)(68-89)(69-91)(70-92)(71-93)(72-94)(73-74)(73-88)(74-87)(75-76)(75-87)(76-88)(77-78)(77-90)(78-89)(79-80)(79-91)(80-92)(81-82)(81-93)(82-94)(83-88)(84-90)(84-96)(85-90)(85-95)(86-87)(86-97)(86-98)(91-99)(92-99)(93-99)(94-99)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MGC-803 | 2 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| SW480 | 4.8 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| A549cisR | 5.1 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| MDA-MB-231 | 7.5 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| HK-2 | 20 | — | 10.1021/acs.jmedchem.5c00384 | 2025 |
| A549 | 29 | — | 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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