Info
| ID | 1904 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)NCc1ccncc1.[Cl-].[Cl-] |
TUCAN
C32H47N5O3RuS/(1-78)(2-78)(3-48)(4-48)(5-48)(6-51)(7-60)(8-58)(9-63)(10-62)(11-79)(12-61)(13-56)(14-61)(15-72)(16-59)(17-69)(18-71)(19-60)(20-64)(21-62)(22-57)(23-63)(24-58)(25-59)(26-70)(27-64)(28-72)(29-74)(30-57)(31-73)(32-71)(33-49)(34-49)(35-53)(36-49)(37-52)(38-50)(39-68)(40-50)(41-50)(42-54)(43-55)(44-82)(45-80)(46-81)(47-83)(48-66)(49-68)(50-68)(51-65)(51-69)(52-53)(52-66)(53-67)(54-55)(54-67)(55-66)(56-65)(56-70)(57-63)(57-75)(58-62)(58-79)(59-60)(59-61)(60-72)(61-64)(62-63)(64-76)(65-71)(67-68)(69-84)(70-84)(71-80)(72-81)(73-74)(73-79)(73-83)(74-78)(74-82)(75-81)(75-86)(76-80)(76-85)(77-82)(77-83)(77-87)(78-88)(79-88)(84-89)(88-89)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW620 | 2.1 | — | 10.1002/chem.201403974 | 2015 |
| HCT-116 | 2.5 | — | 10.1002/chem.201403974 | 2015 |
| COLO-205 | 17 | — | 10.1002/chem.201403974 | 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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