Info
| ID | 1785 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 13 |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1csc(NN=Cc2cccc(Cl)c2)n1.[Cl-] |
TUCAN
C21H24ClN3RuS/(1-30)(2-27)(3-27)(4-40)(5-29)(6-25)(7-25)(8-35)(9-43)(10-41)(11-34)(12-25)(13-32)(14-33)(15-26)(16-26)(17-31)(18-36)(19-27)(20-28)(21-26)(22-28)(23-28)(24-46)(25-42)(26-38)(27-40)(28-40)(29-30)(29-38)(30-39)(31-36)(31-39)(32-37)(32-45)(33-34)(33-37)(34-35)(35-45)(36-38)(37-41)(39-40)(41-48)(42-43)(42-47)(43-49)(44-46)(44-47)(44-49)(45-50)(46-48)(47-51)(48-51)(49-51)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 2.1 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| A2780 | 6.1 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HFL-1 | 6.3 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
| HeLa | 11 | — | 10.1021/acs.jmedchem.5b00855 | 2015 |
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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