Info
| ID | 824 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 4a |
| SMILES | ClCCN(CCCl)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.ClCCN(CCCl)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 |
TUCAN
C50H44Cl4N8Ru/(1-50)(2-57)(3-49)(4-46)(5-47)(6-73)(7-77)(8-91)(9-56)(10-74)(11-54)(12-77)(13-64)(14-53)(15-52)(16-45)(17-60)(18-62)(19-78)(20-78)(21-79)(22-91)(23-48)(24-51)(25-59)(26-92)(27-68)(28-92)(29-75)(30-66)(31-79)(32-93)(33-55)(34-65)(35-67)(36-80)(37-76)(38-58)(39-63)(40-61)(41-93)(42-94)(43-94)(44-80)(45-54)(45-73)(46-50)(46-83)(47-57)(47-83)(48-49)(48-51)(49-74)(50-70)(51-86)(52-69)(52-81)(53-62)(53-84)(54-56)(55-65)(55-67)(56-85)(57-70)(58-68)(58-87)(59-69)(59-82)(60-72)(60-89)(61-66)(61-84)(62-71)(63-72)(63-90)(64-68)(64-76)(65-88)(66-71)(67-75)(69-70)(71-72)(73-95)(74-99)(75-96)(76-102)(77-91)(77-97)(78-92)(78-97)(79-93)(79-98)(80-94)(80-98)(81-86)(81-100)(82-85)(82-100)(83-97)(84-98)(85-95)(86-99)(87-89)(87-102)(88-90)(88-96)(89-101)(90-101)(91-103)(92-104)(93-105)(94-106)(99-107)(100-107)(101-107)(102-107)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 2.6 | — | 10.1177/17475198221085482 | 2022 |
| 786-O | 3.7 | — | 10.1177/17475198221085482 | 2022 |
| A549 | 4.6 | — | 10.1177/17475198221085482 | 2022 |
| HepG2 | 5 | — | 10.1177/17475198221085482 | 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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