Info
| ID | 2433 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | [(η6-bn)RuII(N^N)Cl]PF6 (Ru1) |
| SMILES | CCCCN1C(=O)c2c3c(c4c5c(c6nc7c8cccnc8c8ncccc8c7nc6c(c25)C1=O)C(=O)N(CCCC)C4=O)NC(c1ccccc1)(c1ccccc1)N3.[Cl-].c1ccccc1 |
TUCAN
C53H42N8O4Ru/(1-65)(2-82)(3-44)(4-48)(5-45)(6-81)(7-54)(8-52)(9-67)(10-60)(11-67)(12-46)(13-47)(14-53)(15-80)(16-66)(17-68)(18-49)(19-56)(20-44)(21-68)(22-66)(23-79)(24-55)(25-81)(26-61)(27-62)(28-50)(29-51)(30-44)(31-82)(32-65)(33-64)(34-57)(35-63)(36-58)(37-43)(38-43)(39-59)(40-43)(41-99)(42-98)(43-66)(44-68)(45-47)(45-49)(46-48)(46-69)(47-50)(48-52)(49-51)(50-57)(51-57)(52-54)(53-54)(53-69)(55-56)(55-75)(56-62)(58-59)(58-70)(59-80)(60-61)(60-79)(61-73)(62-63)(63-64)(64-75)(65-66)(65-82)(67-68)(67-81)(69-91)(70-84)(70-86)(71-72)(71-83)(71-94)(72-76)(72-78)(73-87)(73-88)(74-76)(74-85)(74-93)(75-91)(76-77)(77-90)(77-92)(78-89)(78-95)(79-103)(80-97)(81-100)(82-101)(83-85)(83-96)(84-88)(84-96)(85-102)(86-87)(86-97)(87-103)(88-102)(89-90)(89-98)(90-99)(91-98)(91-99)(92-100)(92-104)(93-100)(93-105)(94-101)(94-106)(95-101)(95-107)(102-108)(103-108)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 58 | — | 10.1021/acs.inorgchem.3c01125 | 2023 |
| HeLa | 65 | — | 10.1021/acs.inorgchem.3c01125 | 2023 |
| LO2 | 74 | — | 10.1021/acs.inorgchem.3c01125 | 2023 |
| A549 | 1.3e+02 | — | 10.1021/acs.inorgchem.3c01125 | 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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