Info
| ID | 828 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"P": 2, "N": 1} |
| Abbreviation | Ru3 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H45NP2Ru/(1-49)(2-50)(3-56)(4-51)(5-58)(6-53)(7-57)(8-54)(9-52)(10-47)(11-59)(12-77)(13-61)(14-68)(15-63)(16-74)(17-64)(18-74)(19-60)(20-62)(21-65)(22-73)(23-76)(24-76)(25-73)(26-66)(27-71)(28-75)(29-75)(30-67)(31-81)(32-69)(33-77)(34-72)(35-46)(36-47)(37-47)(38-46)(39-48)(40-48)(41-46)(42-80)(43-55)(44-70)(45-48)(46-78)(47-80)(48-80)(49-51)(49-57)(50-51)(50-59)(52-54)(52-78)(53-56)(53-58)(54-79)(55-70)(55-79)(56-60)(57-82)(58-62)(59-82)(60-83)(61-63)(61-65)(62-83)(63-68)(64-71)(64-72)(65-84)(66-68)(66-84)(67-71)(67-85)(69-72)(69-85)(70-78)(73-74)(73-81)(74-77)(75-76)(75-81)(76-77)(79-80)(81-86)(82-87)(83-87)(84-88)(85-88)(86-87)(86-88)(87-89)(88-89)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| T47D | 0.01 | — | 10.3390/pharmaceutics13101559 | 2021 |
| MCF-7 | 0.015 | — | 10.3390/pharmaceutics13101559 | 2021 |
| BT549 | 0.045 | — | 10.3390/pharmaceutics13101559 | 2021 |
| SK-BR-3 | 0.06 | — | 10.3390/pharmaceutics13101559 | 2021 |
| BT-474 | 0.12 | — | 10.3390/pharmaceutics13101559 | 2021 |
| SK-OV-3 | 0.17 | — | 10.3390/pharmaceutics13101559 | 2021 |
| Hs578T | 0.25 | — | 10.3390/pharmaceutics13101559 | 2021 |
| OVCAR-8 | 0.3 | — | 10.3390/pharmaceutics13101559 | 2021 |
| HaCaT | 0.35 | — | 10.3390/pharmaceutics13101559 | 2021 |
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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