Info
| ID | 4035 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "P": 2, "N": 2} |
| Abbreviation | 1 |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C50H41N2O3P2Ru/(1-42)(2-44)(3-43)(4-51)(5-47)(6-45)(7-73)(8-48)(9-46)(10-79)(11-53)(12-49)(13-50)(14-52)(15-57)(16-54)(17-55)(18-56)(19-60)(20-58)(21-68)(22-86)(23-86)(24-71)(25-59)(26-73)(27-66)(28-61)(29-69)(30-70)(31-87)(32-74)(33-74)(34-72)(35-87)(36-62)(37-80)(38-65)(39-63)(40-64)(41-67)(42-43)(42-75)(43-78)(44-47)(44-88)(45-49)(45-88)(46-51)(46-79)(47-48)(48-49)(50-69)(50-80)(51-75)(52-53)(52-55)(53-89)(54-55)(54-57)(56-58)(56-60)(57-89)(58-90)(59-60)(59-68)(61-62)(61-71)(62-70)(63-64)(63-67)(64-76)(65-67)(65-77)(66-84)(66-85)(68-90)(69-78)(70-72)(71-91)(72-91)(73-74)(73-86)(74-87)(75-81)(76-77)(76-83)(77-85)(78-82)(79-92)(80-93)(81-82)(81-92)(82-93)(83-84)(83-96)(84-94)(85-95)(86-97)(87-98)(88-97)(89-97)(90-98)(91-98)(92-99)(93-99)(97-99)(98-99)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| K-562 | 0.68 | — | 10.1016/j.ejmech.2021.113262 | 2021 |
| A549 | 1.2 | — | 10.1016/j.ejmech.2021.113262 | 2021 |
| L-929 | 1.3 | — | 10.1016/j.ejmech.2021.113262 | 2021 |
| B16-F10 | 1.9 | — | 10.1016/j.ejmech.2021.113262 | 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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