Info
| ID | 4773 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "O": 1, "P": 2} |
| Abbreviation | [Ru(L-Val-H)(dppp)(4'-Mebipy)]PF₆ (9) |
| SMILES | CC(C)[C@H](N)C(=O)[O-].Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C44H48N3O2P2Ru/(1-77)(2-65)(3-53)(4-56)(5-54)(6-58)(7-80)(8-49)(9-49)(10-51)(11-49)(12-75)(13-77)(14-87)(15-66)(16-59)(17-55)(18-87)(19-88)(20-63)(21-51)(22-51)(23-60)(24-61)(25-64)(26-62)(27-88)(28-68)(29-69)(30-71)(31-67)(32-70)(33-73)(34-72)(35-85)(36-76)(37-57)(38-81)(39-74)(40-82)(41-50)(42-50)(43-52)(44-50)(45-52)(46-52)(47-93)(48-93)(49-80)(50-80)(51-78)(52-79)(53-56)(53-89)(54-58)(54-89)(55-59)(55-90)(56-65)(57-78)(57-83)(58-65)(59-66)(60-63)(60-90)(61-64)(61-91)(62-67)(62-91)(63-66)(64-71)(67-71)(68-70)(68-92)(69-72)(69-92)(70-73)(72-73)(74-79)(74-84)(75-78)(75-81)(76-79)(76-82)(77-87)(77-88)(80-85)(81-94)(82-95)(83-84)(83-94)(84-95)(85-86)(85-93)(86-96)(86-97)(87-98)(88-99)(89-98)(90-98)(91-99)(92-99)(94-100)(95-100)(98-100)(99-100)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 4.5 | — | 10.1016/j.jinorgbio.2017.12.01... | 2018 |
| MCF-10A | 16 | — | 10.1016/j.jinorgbio.2017.12.01... | 2018 |
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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