Info
| ID | 4599 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "P": 2} |
| Abbreviation | Complex 3 |
| SMILES | COc1cccc2cc(C(C)=NNC(N)=O)c(=O)oc12.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C49H43N3O4P2Ru/(1-46)(2-47)(3-49)(4-48)(5-50)(6-51)(7-52)(8-55)(9-45)(10-53)(11-77)(12-82)(13-78)(14-56)(15-60)(16-57)(17-61)(18-54)(19-58)(20-59)(21-62)(22-64)(23-65)(24-82)(25-82)(26-66)(27-63)(28-69)(29-70)(30-71)(31-73)(32-68)(33-74)(34-75)(35-72)(36-44)(37-44)(38-67)(39-76)(40-44)(41-93)(42-93)(43-94)(44-81)(45-46)(45-49)(46-47)(47-87)(48-49)(48-87)(50-52)(50-88)(51-55)(51-88)(52-56)(53-57)(53-89)(54-61)(54-89)(55-56)(57-60)(58-62)(58-90)(59-65)(59-90)(60-61)(62-64)(63-66)(63-91)(64-65)(66-68)(67-79)(67-80)(68-70)(69-70)(69-91)(71-73)(71-92)(72-75)(72-92)(73-74)(74-75)(76-77)(76-80)(77-78)(78-83)(79-81)(79-86)(80-84)(81-95)(82-98)(83-84)(83-98)(84-99)(85-93)(85-94)(85-97)(86-96)(86-99)(87-100)(88-100)(89-100)(90-101)(91-101)(92-101)(94-95)(95-102)(98-102)(99-102)(100-102)(101-102)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 57 | — | 10.1016/j.jinorgbio.2024.11258... | 2024 |
| MDA-MB-231 | 74 | — | 10.1016/j.jinorgbio.2024.11258... | 2024 |
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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