Info
| ID | 1137 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 3 |
| SMILES | COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C27H28N2ORu/(1-29)(2-34)(3-29)(4-31)(5-29)(6-30)(7-49)(8-30)(9-40)(10-36)(11-35)(12-30)(13-32)(14-38)(15-37)(16-50)(17-54)(18-43)(19-54)(20-54)(21-41)(22-31)(23-31)(24-33)(25-42)(26-45)(27-39)(28-44)(29-49)(30-49)(31-47)(32-34)(32-46)(33-40)(33-46)(34-47)(35-39)(35-53)(36-42)(36-51)(37-38)(37-52)(38-48)(39-55)(40-47)(41-45)(41-48)(42-45)(43-44)(43-53)(44-55)(46-49)(48-51)(50-52)(50-57)(51-56)(52-56)(53-57)(54-58)(55-58)(56-59)(57-59)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| AGS | 12 | — | 10.1021/acs.molpharmaceut.6b00... | 2016 |
| KATO III | 14 | — | 10.1021/acs.molpharmaceut.6b00... | 2016 |
| HCT-116 | 26 | — | 10.1021/acs.molpharmaceut.6b00... | 2016 |
| SW480 | 27 | — | 10.1021/acs.molpharmaceut.6b00... | 2016 |
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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