Info
| ID | 3118 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | -2 |
| Donor atoms | {"N": 3, "O": 2} |
| Abbreviation | C4 [Ru(BPS)₂(dmbpy)]Na₂ |
| SMILES | Cc1cccc(-c2cccc(C)n2)n1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1 |
TUCAN
C60H40N6O12RuS4/(1-50)(2-85)(3-53)(4-56)(5-41)(6-41)(7-59)(8-55)(9-52)(10-67)(11-88)(12-58)(13-63)(14-60)(15-44)(16-68)(17-62)(18-57)(19-41)(20-49)(21-47)(22-46)(23-42)(24-42)(25-87)(26-86)(27-54)(28-66)(29-69)(30-70)(31-61)(32-43)(33-51)(34-65)(35-45)(36-64)(37-72)(38-71)(39-42)(40-48)(41-92)(42-96)(43-45)(43-77)(44-68)(44-73)(45-82)(46-47)(46-90)(47-49)(48-72)(48-91)(49-92)(50-56)(50-80)(51-76)(51-86)(52-59)(52-98)(53-74)(53-85)(54-78)(54-87)(55-63)(55-97)(56-99)(57-81)(57-88)(58-62)(58-80)(59-75)(60-67)(60-75)(61-69)(61-84)(62-99)(63-83)(64-70)(64-84)(65-66)(65-97)(66-83)(67-98)(68-79)(69-100)(70-100)(71-72)(71-96)(73-76)(73-89)(74-77)(74-80)(75-76)(77-94)(78-79)(78-83)(79-93)(81-82)(81-84)(82-95)(85-105)(86-101)(87-104)(88-106)(89-93)(89-101)(90-91)(90-102)(91-103)(92-102)(93-104)(94-95)(94-105)(95-106)(96-103)(97-120)(98-122)(99-119)(100-121)(102-123)(103-123)(104-123)(105-123)(106-123)(107-119)(108-122)(109-119)(110-120)(111-119)(112-122)(113-121)(114-122)(115-120)(116-120)(117-121)(118-121)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 89 | 22 | 10.1007/s00775-020-01835-7 | 2020 |
| MDA-MB-231 | — | 45 | 10.1007/s00775-020-01835-7 | 2020 |
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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