Info
| ID | 1722 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "O": 1, "P": 2} |
| Abbreviation | Complex 4 |
| SMILES | COc1cccc2[c-]c(/C(C)=N/N=C(\[S-])Nc3ccccc3)c(=O)oc12.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C56H45N3O4P2RuS/(1-49)(2-51)(3-53)(4-48)(5-54)(6-50)(7-52)(8-58)(9-57)(10-55)(11-59)(12-63)(13-91)(14-91)(15-91)(16-56)(17-64)(18-61)(19-62)(20-66)(21-71)(22-67)(23-72)(24-74)(25-73)(26-65)(27-68)(28-70)(29-69)(30-85)(31-82)(32-79)(33-80)(34-75)(35-78)(36-76)(37-77)(38-81)(39-46)(40-46)(41-83)(42-84)(43-60)(44-46)(45-102)(46-88)(47-86)(47-87)(48-49)(48-53)(49-50)(50-54)(51-52)(51-57)(52-55)(53-95)(54-95)(55-96)(56-57)(56-96)(58-59)(58-63)(59-61)(60-84)(60-93)(61-97)(62-63)(62-97)(64-65)(64-66)(65-71)(66-98)(67-71)(67-98)(68-69)(68-89)(69-70)(70-82)(72-74)(72-79)(73-75)(73-79)(74-99)(75-99)(76-78)(76-100)(77-81)(77-100)(78-80)(80-81)(82-85)(83-84)(83-87)(85-89)(86-88)(86-94)(87-92)(88-104)(89-102)(90-105)(91-107)(92-93)(92-108)(93-107)(94-106)(94-108)(95-109)(96-109)(97-109)(98-110)(99-110)(100-110)(101-102)(101-103)(101-111)(103-104)(103-112)(104-112)(107-112)(108-112)(109-112)(110-112)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 3.9 | — | 10.1016/j.jorganchem.2018.04.0... | 2018 |
| A549 | 4.3 | — | 10.1016/j.jorganchem.2018.04.0... | 2018 |
| HaCaT | — | — | 10.1016/j.jorganchem.2018.04.0... | 2018 |
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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