Info
| ID | 3423 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Ru-sq |
| SMILES | O=C1C=CC=CC1[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C54H37N4O2Ru/(1-44)(2-40)(3-43)(4-50)(5-38)(6-46)(7-91)(8-47)(9-39)(10-45)(11-82)(12-52)(13-58)(14-41)(15-42)(16-59)(17-55)(18-49)(19-56)(20-66)(21-51)(22-54)(23-67)(24-53)(25-57)(26-61)(27-62)(28-64)(29-83)(30-60)(31-65)(32-63)(33-48)(34-68)(35-84)(36-69)(37-85)(38-40)(38-43)(39-46)(39-47)(40-44)(41-56)(41-57)(42-49)(42-70)(43-50)(44-72)(45-71)(45-82)(46-52)(47-58)(48-61)(48-68)(49-73)(50-72)(51-54)(51-67)(52-76)(53-64)(53-74)(54-90)(55-75)(55-83)(56-59)(57-62)(58-76)(59-78)(60-77)(60-84)(61-65)(62-78)(63-80)(63-85)(64-79)(65-81)(66-67)(66-91)(68-69)(69-81)(70-71)(70-86)(71-72)(73-75)(73-87)(74-77)(74-88)(75-76)(77-78)(79-80)(79-89)(80-81)(82-92)(83-93)(84-94)(85-95)(86-87)(86-92)(87-93)(88-89)(88-94)(89-95)(90-91)(90-97)(91-96)(92-98)(93-98)(94-98)(95-98)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 0.45 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| HeLa | 0.5 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| A2780 | 0.67 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| RPE-1 | 0.9 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| MRC-5 | 0.95 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| CT-26 | 1 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| CT-26 LUC | 1.5 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
| A2780/ADR | 4.1 | — | 10.1021/acs.jmedchem.0c00431 | 2020 |
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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