Info
| ID | 832 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Complex 4 |
| SMILES | COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C43H39N4O8Ru/(1-63)(2-64)(3-43)(4-40)(5-72)(6-41)(7-42)(8-44)(9-46)(10-50)(11-65)(12-66)(13-47)(14-60)(15-52)(16-55)(17-58)(18-74)(19-74)(20-74)(21-57)(22-53)(23-72)(24-71)(25-48)(26-49)(27-71)(28-72)(29-73)(30-73)(31-59)(32-71)(33-51)(34-45)(35-54)(36-56)(37-73)(38-89)(39-90)(40-43)(40-63)(41-50)(41-64)(42-51)(42-65)(43-44)(44-67)(45-46)(45-66)(46-47)(47-68)(48-50)(48-69)(49-51)(49-70)(52-60)(52-62)(53-61)(53-78)(54-62)(54-77)(55-62)(55-79)(56-57)(56-61)(57-81)(58-80)(58-81)(59-61)(59-82)(60-80)(63-83)(64-84)(65-85)(66-86)(67-68)(67-83)(68-86)(69-70)(69-84)(70-85)(71-92)(72-91)(73-93)(74-94)(75-78)(75-82)(75-89)(76-77)(76-79)(76-90)(77-92)(78-91)(79-94)(80-87)(81-88)(82-93)(83-95)(84-95)(85-95)(86-95)(94-95)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 23 | — | 10.3390/molecules27144565 | 2022 |
| A2780 | 79 | — | 10.3390/molecules27144565 | 2022 |
| A2780 | 1.1e+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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