Info
| ID | 430 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 2} |
| Abbreviation | 1 |
| SMILES | C/C(=C\C(=O)[O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C48H45N2O2P2Ru/(1-88)(2-47)(3-48)(4-58)(5-88)(6-62)(7-59)(8-55)(9-49)(10-60)(11-56)(12-68)(13-83)(14-84)(15-79)(16-57)(17-69)(18-71)(19-79)(20-80)(21-65)(22-66)(23-72)(24-67)(25-75)(26-70)(27-76)(28-74)(29-89)(30-89)(31-80)(32-54)(33-64)(34-52)(35-78)(36-51)(37-61)(38-50)(39-46)(40-46)(41-46)(42-63)(43-73)(44-77)(45-53)(46-81)(47-58)(47-90)(48-59)(48-90)(49-60)(49-91)(50-81)(50-87)(51-64)(51-85)(52-64)(52-83)(53-54)(53-63)(54-62)(55-58)(55-59)(56-60)(56-68)(57-68)(57-91)(61-78)(61-86)(62-82)(63-73)(65-69)(65-92)(66-71)(66-92)(67-72)(67-93)(69-70)(70-71)(72-76)(73-82)(74-75)(74-93)(75-76)(77-78)(77-84)(79-80)(79-88)(80-89)(81-82)(83-94)(84-95)(85-86)(85-94)(86-95)(87-96)(87-97)(88-98)(89-99)(90-98)(91-98)(92-99)(93-99)(94-100)(95-100)(98-100)(99-100)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| L-929 | 1.3 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| MCF-7 | 3.4 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| MCF-10A | 3.9 | — | 10.1016/j.jinorgbio.2020.11102... | 2020 |
| MDA-MB-231 | 8.2 | — | 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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