Info
| ID | 2963 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 5, "O": 2} |
| Abbreviation | 16 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C([O-])CC(=O)[O-] |
TUCAN
C37H41Cl2N5O5Ru/(1-60)(2-59)(3-56)(4-42)(5-48)(6-47)(7-42)(8-68)(9-53)(10-70)(11-69)(12-69)(13-70)(14-51)(15-57)(16-57)(17-68)(18-73)(19-52)(20-66)(21-56)(22-45)(23-58)(24-50)(25-58)(26-67)(27-59)(28-43)(29-43)(30-55)(31-49)(32-43)(33-44)(34-44)(35-44)(36-42)(37-65)(38-54)(39-60)(40-46)(41-79)(42-62)(43-65)(44-65)(45-77)(45-78)(46-54)(46-61)(47-48)(47-62)(48-63)(49-55)(49-63)(50-53)(50-71)(51-52)(51-53)(52-64)(54-78)(55-62)(56-57)(56-59)(57-70)(58-75)(58-76)(59-60)(60-69)(61-68)(61-77)(63-65)(64-71)(64-72)(66-67)(66-80)(67-82)(68-81)(69-79)(70-80)(71-81)(72-74)(72-83)(73-80)(73-82)(74-79)(74-86)(75-84)(75-85)(76-87)(76-88)(77-89)(78-90)(81-83)(82-91)(83-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 12 | — | 10.3390/pharmaceutics15051366 | 2023 |
| MCF-7 | 13 | — | 10.3390/pharmaceutics15051366 | 2023 |
| A549 | 14 | — | 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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