Info
| ID | 3827 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1 |
TUCAN
C48H48N6O12Ru/(1-55)(2-85)(3-49)(4-85)(5-86)(6-49)(7-86)(8-73)(9-49)(10-56)(11-50)(12-57)(13-74)(14-50)(15-50)(16-59)(17-58)(18-61)(19-87)(20-63)(21-51)(22-51)(23-87)(24-75)(25-51)(26-76)(27-52)(28-88)(29-52)(30-88)(31-52)(32-60)(33-53)(34-62)(35-64)(36-66)(37-53)(38-77)(39-89)(40-53)(41-54)(42-54)(43-89)(44-54)(45-65)(46-78)(47-90)(48-90)(49-85)(50-86)(51-87)(52-88)(53-89)(54-90)(55-67)(55-79)(56-67)(56-73)(57-68)(57-74)(58-69)(58-75)(59-68)(59-80)(60-70)(60-76)(61-69)(61-81)(62-71)(62-77)(63-70)(63-82)(64-71)(64-83)(65-72)(65-84)(66-72)(66-78)(67-91)(68-92)(69-93)(70-94)(71-95)(72-96)(73-97)(74-98)(75-99)(76-100)(77-101)(78-102)(79-80)(79-97)(80-98)(81-82)(81-99)(82-100)(83-84)(83-101)(84-102)(85-109)(86-110)(87-111)(88-112)(89-113)(90-114)(91-103)(91-109)(92-104)(92-110)(93-105)(93-111)(94-106)(94-112)(95-107)(95-113)(96-108)(96-114)(97-115)(98-115)(99-115)(100-115)(101-115)(102-115)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1e+02 | — | 10.1002/cbic.200900013 | 2009 |
| A2780cisR | 1.2e+02 | — | 10.1002/cbic.200900013 | 2009 |
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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