Info
| ID | 433 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 2} |
| Abbreviation | 4 |
| SMILES | O=C([O-])/C=C/c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C47H43N2O3P2Ru/(1-45)(2-47)(3-46)(4-76)(5-48)(6-44)(7-71)(8-72)(9-49)(10-52)(11-85)(12-53)(13-51)(14-85)(15-74)(16-75)(17-55)(18-79)(19-76)(20-57)(21-59)(22-61)(23-77)(24-77)(25-62)(26-63)(27-58)(28-60)(29-68)(30-64)(31-67)(32-86)(33-66)(34-86)(35-56)(36-69)(37-54)(38-50)(39-73)(40-70)(41-80)(42-65)(43-95)(44-45)(44-87)(45-46)(46-47)(47-52)(48-49)(48-51)(49-53)(50-54)(50-81)(51-57)(52-87)(53-88)(54-55)(55-79)(56-65)(56-78)(57-88)(58-59)(58-60)(59-61)(60-62)(61-89)(62-89)(63-64)(63-90)(64-68)(65-84)(66-67)(66-90)(67-68)(69-70)(69-80)(70-73)(71-72)(71-83)(72-78)(73-82)(74-75)(74-78)(75-83)(76-77)(76-85)(77-86)(79-91)(80-92)(81-82)(81-91)(82-92)(83-95)(84-93)(84-94)(85-96)(86-97)(87-96)(88-96)(89-97)(90-97)(91-98)(92-98)(95-98)(96-98)(97-98)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 1.9 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| L-929 | 2.7 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| MCF-7 | 11 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| MCF-10A | 17 | — | 10.1016/j.jinorgbio.2020.11102... | 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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