Info
| ID | 3139 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "O": 1, "P": 2} |
| Abbreviation | 2 |
| SMILES | CCOC(=O)c1ccnc(C(=O)[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C47H44N3O4P2Ru/(1-86)(2-46)(3-49)(4-51)(5-86)(6-74)(7-50)(8-87)(9-52)(10-47)(11-53)(12-48)(13-69)(14-65)(15-68)(16-74)(17-75)(18-87)(19-54)(20-55)(21-75)(22-83)(23-71)(24-77)(25-83)(26-70)(27-72)(28-56)(29-61)(30-57)(31-60)(32-58)(33-63)(34-67)(35-59)(36-62)(37-64)(38-66)(39-45)(40-73)(41-78)(42-79)(43-45)(44-45)(45-83)(46-49)(46-88)(47-49)(47-51)(48-69)(48-78)(50-51)(50-88)(52-53)(52-89)(53-56)(54-55)(54-56)(55-89)(57-58)(57-61)(58-90)(59-60)(59-90)(60-61)(62-63)(62-91)(63-67)(64-66)(64-91)(65-76)(65-77)(66-67)(68-69)(68-80)(70-72)(70-73)(71-76)(71-82)(72-81)(73-79)(74-75)(74-86)(75-87)(76-85)(77-92)(78-93)(79-94)(80-81)(80-93)(81-94)(82-84)(82-92)(83-98)(84-95)(84-97)(85-96)(85-98)(86-99)(87-100)(88-99)(89-99)(90-100)(91-100)(92-101)(93-101)(94-101)(98-101)(99-101)(100-101)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 2.4 | — | 10.1039/c8qi00941d | 2019 |
| MCF-7 | 5.1 | — | 10.1039/c8qi00941d | 2019 |
| A549 | 13 | — | 10.1039/c8qi00941d | 2019 |
| V79 | 17 | — | 10.1039/c8qi00941d | 2019 |
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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