Info
| ID | 1059 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "N": 3, "P": 2} |
| Abbreviation | 3 |
| SMILES | [S-]C1=NCCS1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C49H42N3P2RuS2/(1-43)(2-46)(3-45)(4-44)(5-47)(6-48)(7-50)(8-49)(9-54)(10-51)(11-81)(12-65)(13-64)(14-81)(15-56)(16-52)(17-58)(18-53)(19-62)(20-55)(21-59)(22-63)(23-66)(24-57)(25-60)(26-73)(27-61)(28-67)(29-71)(30-74)(31-69)(32-75)(33-72)(34-70)(35-79)(36-77)(37-76)(38-68)(39-90)(40-90)(41-78)(42-80)(43-44)(43-84)(44-45)(45-47)(46-47)(46-84)(48-49)(48-50)(49-85)(50-51)(51-54)(52-53)(52-55)(53-56)(54-85)(55-58)(56-86)(57-59)(57-62)(58-86)(59-87)(60-62)(60-63)(61-66)(61-69)(63-87)(64-65)(64-79)(65-68)(66-88)(67-69)(67-73)(68-82)(70-71)(70-72)(71-74)(72-75)(73-88)(74-89)(75-89)(76-77)(76-78)(77-80)(78-83)(79-92)(80-93)(81-90)(81-94)(82-83)(82-92)(83-93)(84-95)(85-95)(86-95)(87-96)(88-96)(89-96)(90-98)(91-94)(91-97)(91-98)(92-99)(93-99)(94-99)(95-99)(96-99)(98-99)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 0.9 | — | 10.1016/j.jinorgbio.2015.12.02... | 2016 |
| MCF-7 | 3.3 | — | 10.1016/j.jinorgbio.2015.12.02... | 2016 |
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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