Info
| ID | 4788 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1} |
| Abbreviation | 1b |
| SMILES | C/C(=N\N=C(\N)[S-])c1ccc(Cl)s1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-] |
TUCAN
C17H21ClN3RuS2/(1-28)(2-23)(3-23)(4-23)(5-24)(6-24)(7-34)(8-22)(9-24)(10-26)(11-29)(12-27)(13-22)(14-22)(15-30)(16-25)(17-25)(18-31)(19-25)(20-39)(21-39)(22-33)(23-34)(24-34)(25-35)(26-28)(26-33)(27-31)(27-38)(28-32)(29-30)(29-32)(30-33)(31-36)(32-34)(35-36)(35-40)(36-43)(37-39)(37-41)(37-42)(38-43)(38-44)(40-41)(40-45)(41-45)(43-45)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Caco-2 | 0.1 | — | 10.1007/s00775-018-1549-5 | 2018 |
| CCD-19Co | 0.24 | — | 10.1007/s00775-018-1549-5 | 2018 |
| A2780 | 2.8 | — | 10.1007/s00775-018-1549-5 | 2018 |
| SK-OV-3 | 7.2 | — | 10.1007/s00775-018-1549-5 | 2018 |
| DLD-1 | 29 | — | 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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