Info
| ID | 2961 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5, "O": 2} |
| Abbreviation | 14 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCCCCCCCCCCCc1ncc[nH]1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C([O-])C(=O)[O-] |
TUCAN
C42H51Cl2N5O5Ru/(1-73)(2-68)(3-67)(4-52)(5-60)(6-59)(7-52)(8-62)(9-82)(10-57)(11-75)(12-74)(13-69)(14-70)(15-71)(16-72)(17-72)(18-71)(19-70)(20-69)(21-74)(22-73)(23-83)(24-58)(25-76)(26-76)(27-63)(28-66)(29-56)(30-55)(31-75)(32-67)(33-84)(34-85)(35-84)(36-64)(37-66)(38-68)(39-65)(40-61)(41-53)(42-53)(43-53)(44-54)(45-54)(46-54)(47-52)(48-81)(49-85)(50-94)(51-95)(52-77)(53-81)(54-81)(55-58)(55-86)(56-58)(56-62)(57-92)(57-93)(59-60)(59-77)(60-78)(61-65)(61-78)(62-79)(63-64)(63-92)(64-80)(65-77)(66-75)(66-88)(67-68)(67-76)(68-73)(69-70)(69-74)(70-71)(71-72)(72-84)(73-74)(75-76)(78-81)(79-86)(79-87)(80-85)(80-93)(82-83)(82-95)(83-97)(84-94)(85-96)(86-96)(87-89)(87-98)(88-95)(88-97)(89-94)(89-101)(90-91)(90-99)(90-100)(91-102)(91-103)(92-104)(93-105)(96-98)(97-106)(98-106)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 12 | — | 10.3390/pharmaceutics15051366 | 2023 |
| A549 | 14 | — | 10.3390/pharmaceutics15051366 | 2023 |
| MCF-7 | 14 | — | 10.3390/pharmaceutics15051366 | 2023 |
| SW480 | 16 | — | 10.3390/pharmaceutics15051366 | 2023 |
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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