Info
| ID | 4787 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "P": 2} |
| Abbreviation | 1a |
| SMILES | C/C(=N\N=C(\N)[S-])c1ccc(Cl)s1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C43H37ClN3P2RuS2/(1-39)(2-42)(3-41)(4-40)(5-43)(6-44)(7-45)(8-47)(9-49)(10-48)(11-52)(12-50)(13-56)(14-58)(15-57)(16-63)(17-60)(18-65)(19-66)(20-61)(21-54)(22-38)(23-69)(24-62)(25-46)(26-51)(27-53)(28-67)(29-55)(30-68)(31-64)(32-59)(33-70)(34-38)(35-38)(36-81)(37-81)(38-71)(39-42)(39-72)(40-44)(40-72)(41-42)(41-44)(43-45)(43-73)(45-46)(46-47)(47-49)(48-51)(48-52)(49-73)(50-51)(50-56)(52-74)(53-58)(53-60)(54-69)(54-78)(55-61)(55-62)(56-74)(57-58)(57-75)(59-64)(59-70)(60-63)(61-65)(62-66)(63-75)(64-67)(65-76)(66-76)(67-77)(68-70)(68-77)(69-80)(71-78)(71-82)(72-84)(73-84)(74-84)(75-85)(76-85)(77-85)(78-87)(79-81)(79-83)(79-86)(80-87)(80-88)(82-83)(82-89)(83-89)(84-89)(85-89)(87-89)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Caco-2 | 0.19 | — | 10.1007/s00775-018-1549-5 | 2018 |
| A2780 | 0.64 | — | 10.1007/s00775-018-1549-5 | 2018 |
| CCD-19Co | 0.9 | — | 10.1007/s00775-018-1549-5 | 2018 |
| OVCAR-3 | 13 | — | 10.1007/s00775-018-1549-5 | 2018 |
| DLD-1 | 44 | — | 10.1007/s00775-018-1549-5 | 2018 |
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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