Info
| ID | 3021 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "S": 1, "P": 2} |
| Abbreviation | 2 |
| SMILES | Cc1cc(C)nc([S-])n1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C46H47N4P2RuS/(1-53)(2-87)(3-52)(4-54)(5-55)(6-59)(7-48)(8-48)(9-48)(10-77)(11-87)(12-60)(13-56)(14-61)(15-77)(16-78)(17-62)(18-72)(19-88)(20-65)(21-63)(22-64)(23-78)(24-88)(25-67)(26-69)(27-68)(28-70)(29-66)(30-74)(31-71)(32-73)(33-50)(34-49)(35-81)(36-57)(37-49)(38-49)(39-51)(40-50)(41-51)(42-51)(43-58)(44-82)(45-50)(46-75)(47-76)(48-83)(49-79)(50-84)(51-80)(52-55)(52-59)(53-55)(53-89)(54-59)(54-89)(56-60)(56-61)(57-79)(57-81)(58-83)(58-84)(60-62)(61-63)(62-90)(63-90)(64-65)(64-91)(65-66)(66-67)(67-69)(68-70)(68-71)(69-91)(70-92)(71-74)(72-79)(72-85)(73-74)(73-92)(75-80)(75-82)(76-80)(76-86)(77-78)(77-87)(78-88)(81-94)(82-97)(83-95)(84-96)(85-86)(85-94)(86-97)(87-98)(88-99)(89-98)(90-98)(91-99)(92-99)(93-95)(93-96)(93-100)(94-101)(95-101)(96-101)(97-101)(98-101)(99-101)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.43 | — | 10.1016/j.jinorgbio.2008.05.00... | 2008 |
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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