Info
| ID | 1762 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | C1 |
| SMILES | CC(C)COC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCC(C)C.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C38H66N2O4Ru/(1-83)(2-83)(3-92)(4-74)(5-67)(6-67)(7-75)(8-69)(9-101)(10-93)(11-69)(12-67)(13-68)(14-68)(15-71)(16-68)(17-69)(18-70)(19-101)(20-70)(21-70)(22-71)(23-71)(24-76)(25-77)(26-80)(27-80)(28-82)(29-99)(30-97)(31-79)(32-79)(33-82)(34-72)(35-72)(36-72)(37-73)(38-73)(39-73)(40-95)(41-78)(42-81)(43-81)(44-84)(45-78)(46-97)(47-94)(48-88)(49-84)(50-88)(51-100)(52-102)(53-102)(54-98)(55-98)(56-87)(57-96)(58-89)(59-85)(60-85)(61-86)(62-86)(63-89)(64-87)(65-105)(66-106)(67-92)(68-90)(69-93)(70-93)(71-92)(72-95)(73-95)(74-76)(74-90)(75-77)(75-90)(76-91)(77-91)(78-94)(78-99)(79-80)(79-94)(80-83)(81-82)(81-94)(82-83)(84-85)(84-87)(85-96)(86-89)(86-96)(87-89)(88-96)(88-100)(91-92)(93-101)(95-102)(97-98)(97-105)(98-106)(99-103)(99-105)(100-104)(100-106)(101-109)(102-110)(103-107)(103-109)(104-108)(104-110)(109-111)(110-111)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 2.9 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
| HCT-116 | 4.4 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
| MCF-7 | 5 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
| B16 | 5.5 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
| A549 | 6.4 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
| MRC-5 | 8.7 | — | 10.1016/j.jorganchem.2013.08.0... | 2014 |
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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