Info
| ID | 2235 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1, "P": 2} |
| Abbreviation | Complex 4 |
| SMILES | NCCCCC(N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C44H49N4O2P2Ru/(1-50)(2-88)(3-88)(4-54)(5-89)(6-57)(7-55)(8-58)(9-56)(10-61)(11-51)(12-52)(13-53)(14-59)(15-89)(16-77)(17-62)(18-63)(19-77)(20-80)(21-79)(22-79)(23-80)(24-75)(25-71)(26-65)(27-66)(28-67)(29-60)(30-78)(31-78)(32-70)(33-68)(34-72)(35-69)(36-64)(37-73)(38-83)(39-74)(40-81)(41-82)(42-86)(43-76)(44-76)(45-83)(46-95)(47-94)(48-94)(49-95)(50-57)(50-90)(51-52)(51-53)(52-84)(53-81)(54-61)(54-90)(55-62)(55-91)(56-65)(56-91)(57-58)(58-61)(59-66)(59-92)(60-67)(60-92)(62-63)(63-65)(64-66)(64-67)(68-70)(68-93)(69-72)(69-93)(70-73)(71-75)(71-85)(72-73)(74-75)(74-82)(76-79)(76-86)(77-78)(77-88)(78-89)(79-80)(80-83)(81-96)(82-97)(83-94)(84-85)(84-96)(85-97)(86-87)(86-95)(87-98)(87-99)(88-100)(89-101)(90-100)(91-100)(92-101)(93-101)(96-102)(97-102)(100-102)(101-102)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| K-562 | 11 | — | 10.1007/s12011-019-01976-0 | 2019 |
| A549 | 17 | — | 10.1007/s12011-019-01976-0 | 2019 |
| L-929 | 57 | — | 10.1007/s12011-019-01976-0 | 2019 |
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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