Info
| ID | 4627 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1, "O": 1, "P": 2} |
| Abbreviation | Complex 4 |
| SMILES | COc1ccc2[c-]c(C(C)=NN=C([S-])Nc3ccccc3)c(=O)oc2c1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C56H45N3O4P2RuS/(1-49)(2-48)(3-51)(4-56)(5-52)(6-58)(7-63)(8-50)(9-53)(10-54)(11-64)(12-71)(13-57)(14-91)(15-91)(16-91)(17-55)(18-65)(19-61)(20-62)(21-66)(22-67)(23-75)(24-72)(25-73)(26-79)(27-74)(28-60)(29-69)(30-70)(31-83)(32-68)(33-85)(34-81)(35-76)(36-77)(37-78)(38-82)(39-80)(40-46)(41-46)(42-84)(43-59)(44-46)(45-102)(46-88)(47-86)(47-87)(48-49)(48-52)(49-51)(50-56)(50-58)(51-53)(52-95)(53-95)(54-56)(54-96)(55-58)(55-96)(57-63)(57-64)(59-84)(59-93)(60-92)(60-93)(61-63)(61-97)(62-64)(62-97)(65-71)(65-72)(66-71)(66-98)(67-72)(67-98)(68-69)(68-89)(69-70)(70-83)(73-75)(73-79)(74-76)(74-79)(75-99)(76-99)(77-78)(77-81)(78-100)(80-81)(80-82)(82-100)(83-85)(84-87)(85-89)(86-88)(86-94)(87-92)(88-104)(89-102)(90-105)(91-107)(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 | — | 10.1039/C7RA12104K | 2017 |
| A549 | 3 | — | 10.1039/C7RA12104K | 2017 |
| HaCaT | — | — | 10.1039/C7RA12104K | 2017 |
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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