Info
| ID | 861 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"P": 1, "N": 1} |
| Abbreviation | 5 |
| SMILES | COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccncc1.[Cl-] |
TUCAN
C37H42NO3PRu/(1-69)(2-46)(3-43)(4-44)(5-47)(6-44)(7-48)(8-70)(9-46)(10-68)(11-50)(12-49)(13-43)(14-46)(15-71)(16-71)(17-71)(18-51)(19-72)(20-52)(21-54)(22-59)(23-72)(24-72)(25-57)(26-73)(27-73)(28-53)(29-58)(30-43)(31-45)(32-45)(33-62)(34-61)(35-60)(36-64)(37-45)(38-56)(39-44)(40-55)(41-73)(42-63)(43-68)(44-65)(45-68)(46-66)(47-65)(47-69)(48-49)(48-66)(49-67)(50-65)(50-70)(51-53)(51-79)(52-54)(52-74)(53-75)(54-77)(55-56)(55-67)(56-66)(57-59)(57-74)(58-60)(58-76)(59-77)(60-78)(61-62)(61-79)(62-75)(63-64)(63-76)(64-78)(67-68)(69-80)(70-80)(71-81)(72-83)(73-82)(74-81)(75-83)(76-82)(77-84)(78-84)(79-84)(80-85)(83-85)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| U2OS | 14 | — | 10.1016/j.poly.2022.115980 | 2022 |
| HT-29 | 40 | — | 10.1016/j.poly.2022.115980 | 2022 |
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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