Info
| ID | 3662 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | -1 |
| Donor atoms | {"N": 1, "S": 1, "O": 1} |
| Abbreviation | CholPyRu |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)Oc5ccncc5)CC[C@]4(C)[C@H]3CC[C@]12C.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-] |
TUCAN
C38H59NO5RuS/(1-79)(2-76)(3-79)(4-74)(5-67)(6-93)(7-76)(8-78)(9-64)(10-72)(11-72)(12-85)(13-64)(14-74)(15-87)(16-77)(17-90)(18-63)(19-96)(20-96)(21-77)(22-65)(23-63)(24-96)(25-97)(26-63)(27-80)(28-73)(29-73)(30-80)(31-91)(32-71)(33-75)(34-78)(35-64)(36-71)(37-66)(38-75)(39-86)(40-82)(41-60)(42-70)(43-70)(44-60)(45-68)(46-60)(47-61)(48-61)(49-69)(50-69)(51-61)(52-97)(53-97)(54-83)(55-62)(56-62)(57-62)(58-84)(59-68)(60-82)(61-82)(62-84)(63-88)(64-89)(65-90)(65-92)(66-91)(66-92)(67-80)(67-81)(68-69)(68-84)(69-70)(70-82)(71-72)(71-94)(72-95)(73-75)(73-88)(74-81)(74-93)(75-85)(76-77)(76-89)(77-93)(78-79)(78-86)(79-83)(80-87)(81-89)(83-84)(83-88)(85-87)(85-89)(86-87)(86-88)(90-98)(91-98)(92-103)(93-102)(94-99)(94-103)(95-100)(95-102)(96-104)(97-104)(98-105)(101-104)(102-105)(103-105)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| MDA-MB-231 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| A375 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| HCT-116 | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
| HaCaT | — | — | 10.1016/j.bioadv.2022.213016 | 2022 |
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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