Info
| ID | 829 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Complex 1 |
| SMILES | Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1 |
TUCAN
C43H39N4O4Ru/(1-40)(2-51)(3-58)(4-61)(5-40)(6-49)(7-44)(8-40)(9-71)(10-41)(11-53)(12-41)(13-72)(14-46)(15-55)(16-47)(17-50)(18-57)(19-41)(20-73)(21-48)(22-45)(23-62)(24-52)(25-74)(26-42)(27-60)(28-59)(29-42)(30-56)(31-42)(32-54)(33-63)(34-64)(35-43)(36-43)(37-43)(38-89)(39-90)(40-65)(41-66)(42-67)(43-70)(44-46)(44-68)(45-51)(45-80)(46-81)(47-65)(47-71)(48-66)(48-72)(49-65)(49-75)(50-52)(50-69)(51-68)(52-82)(53-66)(53-76)(54-59)(54-80)(55-79)(55-81)(56-67)(56-73)(57-67)(57-77)(58-61)(58-69)(59-68)(60-62)(60-82)(61-79)(62-69)(63-70)(63-78)(64-70)(64-74)(71-83)(72-84)(73-85)(74-86)(75-76)(75-83)(76-84)(77-78)(77-85)(78-86)(79-88)(80-89)(81-87)(82-90)(83-91)(84-91)(85-91)(86-91)(90-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.3 | — | 10.3390/molecules27144565 | 2022 |
| A2780 | 48 | — | 10.3390/molecules27144565 | 2022 |
| A2780 | 2e+02 | — | 10.3390/molecules27144565 | 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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