Info
| ID | 387 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4, "O": 1, "P": 2} |
| Abbreviation | 2 |
| SMILES | O=c1[nH]cc(/C=N\N=C(/[O-])c2cccs2)c(=O)[nH]1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C46H37N4O3P2RuS/(1-38)(2-41)(3-39)(4-40)(5-43)(6-42)(7-45)(8-44)(9-46)(10-49)(11-47)(12-48)(13-50)(14-51)(15-52)(16-54)(17-58)(18-53)(19-60)(20-57)(21-61)(22-55)(23-62)(24-56)(25-64)(26-63)(27-65)(28-68)(29-67)(30-66)(31-82)(32-69)(33-71)(34-72)(35-59)(36-84)(37-85)(38-39)(38-41)(39-76)(40-42)(40-76)(41-42)(43-44)(43-46)(44-45)(45-77)(46-48)(47-49)(47-51)(48-77)(49-50)(50-78)(51-52)(52-78)(53-54)(53-58)(54-79)(55-57)(55-79)(56-61)(56-80)(57-58)(59-69)(59-82)(60-61)(60-62)(62-63)(63-80)(64-65)(64-68)(65-81)(66-67)(66-81)(67-68)(69-83)(70-71)(70-72)(70-73)(71-87)(72-85)(73-84)(73-88)(74-83)(74-86)(74-89)(75-84)(75-85)(75-90)(76-91)(77-91)(78-91)(79-92)(80-92)(81-92)(82-93)(83-93)(86-87)(86-94)(87-94)(91-94)(92-94)(93-94)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCC70 | — | — | 10.1016/j.poly.2020.114569 | 2020 |
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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