Info
| ID | 3152 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 1, "N": 4, "P": 2} |
| Abbreviation | 2 |
| SMILES | [S-]c1ncccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C42H39N4P2RuS/(1-42)(2-44)(3-43)(4-47)(5-75)(6-40)(7-46)(8-45)(9-67)(10-52)(11-51)(12-75)(13-67)(14-53)(15-55)(16-57)(17-68)(18-68)(19-54)(20-58)(21-56)(22-59)(23-61)(24-60)(25-63)(26-76)(27-62)(28-76)(29-41)(30-70)(31-72)(32-49)(33-65)(34-69)(35-50)(36-71)(37-48)(38-64)(39-66)(40-42)(40-43)(41-48)(41-49)(42-44)(43-47)(44-77)(45-46)(45-52)(46-51)(47-77)(48-73)(49-70)(50-69)(50-71)(51-55)(52-78)(53-57)(53-61)(54-58)(54-61)(55-78)(56-60)(56-63)(57-79)(58-79)(59-62)(59-63)(60-80)(62-80)(64-65)(64-66)(65-72)(66-74)(67-68)(67-75)(68-76)(69-83)(70-82)(71-85)(72-84)(73-74)(73-82)(74-84)(75-86)(76-87)(77-86)(78-86)(79-87)(80-87)(81-83)(81-85)(81-88)(82-89)(83-89)(84-89)(85-89)(86-89)(87-89)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.82 | — | 10.1039/c5mt00227c | 2016 |
| CHO | 3 | — | 10.1039/c5mt00227c | 2016 |
| HepG2 | 3.2 | — | 10.1039/c5mt00227c | 2016 |
| Caco-2 | 4 | — | 10.1007/s10534-018-0160-0 | 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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