Info
| ID | 4789 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1} |
| Abbreviation | 2a |
| SMILES | C/C(=N\N=C(\N)[S-])c1ccc(C)s1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-] |
TUCAN
C18H24N3RuS2/(1-38)(2-27)(3-27)(4-27)(5-28)(6-32)(7-28)(8-26)(9-26)(10-28)(11-31)(12-25)(13-25)(14-30)(15-29)(16-29)(17-26)(18-33)(19-34)(20-35)(21-25)(22-29)(23-43)(24-43)(25-40)(26-37)(27-38)(28-38)(29-39)(30-35)(30-40)(31-32)(31-37)(32-36)(33-34)(33-37)(34-36)(35-41)(36-38)(39-41)(39-44)(40-47)(41-47)(42-43)(42-45)(42-46)(44-45)(44-48)(45-48)(47-48)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Caco-2 | 0.18 | — | 10.1007/s00775-018-1549-5 | 2018 |
| A2780 | 1.1 | — | 10.1007/s00775-018-1549-5 | 2018 |
| CCD-19Co | 1.6 | — | 10.1007/s00775-018-1549-5 | 2018 |
| SK-OV-3 | 2.2 | — | 10.1007/s00775-018-1549-5 | 2018 |
| OVCAR-3 | 88 | — | 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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