Info
| ID | 4731 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ru-6 |
| SMILES | C/C(=N\NC(N)=S)c1cc2ccccc2oc1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C32H27N7O2RuS/(1-44)(2-29)(3-48)(4-32)(5-30)(6-39)(7-31)(8-49)(9-37)(10-45)(11-33)(12-34)(13-28)(14-35)(15-38)(16-36)(17-41)(18-28)(19-42)(20-50)(21-43)(22-40)(23-51)(24-28)(25-60)(26-60)(27-61)(28-53)(29-31)(29-32)(30-35)(30-37)(31-52)(32-48)(33-45)(33-46)(34-46)(34-47)(35-54)(36-38)(36-55)(37-49)(38-42)(39-44)(39-57)(40-41)(40-43)(41-56)(42-50)(43-51)(44-45)(46-57)(47-53)(47-58)(48-62)(49-63)(50-64)(51-65)(52-54)(52-62)(53-66)(54-63)(55-56)(55-64)(56-65)(57-68)(58-67)(58-68)(59-60)(59-61)(59-69)(61-66)(62-70)(63-70)(64-70)(65-70)(66-70)(68-70)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| L1210 | 0.45 | — | 10.1007/s00044-016-1625-8 | 2016 |
| CEM | 0.48 | — | 10.1007/s00044-016-1625-8 | 2016 |
| Molt4/C8 | 0.64 | — | 10.1007/s00044-016-1625-8 | 2016 |
| BEL-7402 | 0.84 | — | 10.1007/s00044-016-1625-8 | 2016 |
| HL60 | 0.92 | — | 10.1007/s00044-016-1625-8 | 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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