Info
| ID | 268 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1, "P": 2} |
| Abbreviation | Complex 5 |
| SMILES | CN(C)C(=S)N=C([O-])c1cccs1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C46H45N4OP2RuS2/(1-83)(2-46)(3-83)(4-51)(5-48)(6-49)(7-84)(8-61)(9-50)(10-62)(11-52)(12-54)(13-47)(14-73)(15-68)(16-67)(17-74)(18-74)(19-75)(20-53)(21-56)(22-75)(23-76)(24-76)(25-76)(26-77)(27-70)(28-72)(29-57)(30-58)(31-63)(32-64)(33-55)(34-84)(35-59)(36-66)(37-60)(38-65)(39-77)(40-78)(41-79)(42-89)(43-71)(44-69)(45-77)(46-48)(46-51)(47-68)(47-80)(48-85)(49-51)(49-52)(50-53)(50-61)(52-85)(53-86)(54-56)(54-61)(55-57)(55-62)(56-86)(57-87)(58-59)(58-87)(59-62)(60-63)(60-66)(63-88)(64-65)(64-88)(65-66)(67-68)(67-78)(69-71)(69-90)(70-72)(70-73)(71-89)(72-79)(73-81)(74-75)(74-83)(75-84)(76-92)(77-92)(78-93)(79-95)(80-81)(80-93)(81-95)(82-90)(82-94)(82-96)(83-97)(84-98)(85-97)(86-97)(87-98)(88-98)(89-100)(90-100)(91-92)(91-94)(91-99)(93-101)(94-101)(95-101)(97-101)(98-101)(100-101)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.12 | — | 10.1016/j.msec.2020.111106 | 2020 |
| A549 | 0.23 | — | 10.1016/j.msec.2020.111106 | 2020 |
| DU-145 | 0.28 | — | 10.1016/j.msec.2020.111106 | 2020 |
| MRC-5 | 0.59 | — | 10.1016/j.msec.2020.111106 | 2020 |
| MCF-10A | 0.74 | — | 10.1016/j.msec.2020.111106 | 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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