Info
| ID | 624 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | RuMCH |
| SMILES | COc1ccc(C(=O)N/N=C(/C=C(/C=C/c2ccc(O)c(OC)c2)[N-]NC(=O)c2ccc(OC)cc2)\C=C\c2ccc(O)c(OC)c2)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C47H49N4O8Ru/(1-54)(2-57)(3-85)(4-86)(5-51)(6-50)(7-56)(8-82)(9-69)(10-64)(11-61)(12-67)(13-60)(14-87)(15-53)(16-50)(17-70)(18-55)(19-51)(20-51)(21-50)(22-86)(23-85)(24-87)(25-52)(26-87)(27-59)(28-62)(29-68)(30-65)(31-52)(32-52)(33-71)(34-85)(35-72)(36-88)(37-63)(38-74)(39-66)(40-86)(41-58)(42-88)(43-88)(44-73)(45-75)(46-97)(47-98)(48-103)(49-107)(50-82)(51-77)(52-82)(53-54)(53-76)(54-77)(55-56)(55-76)(56-77)(57-65)(57-79)(58-78)(58-89)(59-81)(59-90)(60-68)(60-81)(61-69)(61-94)(62-63)(62-91)(63-78)(64-72)(64-79)(65-92)(66-73)(66-93)(67-83)(67-84)(68-83)(69-80)(70-71)(70-78)(71-84)(72-92)(73-81)(74-75)(74-80)(75-94)(76-82)(79-95)(80-96)(83-99)(84-100)(85-105)(86-104)(87-106)(88-108)(89-91)(89-104)(90-93)(90-105)(91-103)(92-106)(93-107)(94-108)(95-97)(95-101)(96-98)(96-102)(97-99)(98-100)(99-109)(100-109)(107-109)(108-109)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 10 | — | 10.1016/j.ica.2024.121997 | 2024 |
| HeLa | 11 | — | 10.1016/j.ica.2024.121997 | 2024 |
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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