Info
| ID | 2386 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(Cn1ccnc1)N1c2ccccc2Oc2ccccc21.[Cl-].[Cl-] |
TUCAN
C27H27N3O2Ru/(1-39)(2-29)(3-29)(4-45)(5-38)(6-32)(7-31)(8-48)(9-33)(10-48)(11-36)(12-51)(13-41)(14-46)(15-34)(16-35)(17-37)(18-47)(19-40)(20-42)(21-29)(22-28)(23-28)(24-30)(25-30)(26-28)(27-30)(28-43)(29-45)(30-45)(31-32)(31-33)(32-35)(33-52)(34-36)(34-37)(35-49)(36-41)(37-50)(38-39)(38-43)(39-44)(40-42)(40-44)(41-53)(42-43)(44-45)(46-47)(46-57)(47-55)(48-54)(48-55)(49-52)(49-56)(50-53)(50-56)(51-55)(51-57)(52-59)(53-59)(54-56)(54-58)(57-60)(59-60)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 22 | — | 10.1021/jm070039f | 2007 |
| TS/A | 75 | — | 10.1021/jm070039f | 2007 |
| T47D | 94 | — | 10.1021/jm070039f | 2007 |
| A549 | — | — | 10.1021/jm070039f | 2007 |
| HBL-100 | — | — | 10.1021/jm070039f | 2007 |
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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