Info
| ID | 771 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "P": 1} |
| Abbreviation | (1) |
| SMILES | CN=C(NC#N)NCCSCc1[nH]cnc1C.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C48H52N8P2RuS/(1-63)(2-80)(3-54)(4-80)(5-64)(6-68)(7-70)(8-61)(9-71)(10-62)(11-67)(12-65)(13-81)(14-66)(15-93)(16-83)(17-84)(18-57)(19-56)(20-60)(21-55)(22-59)(23-58)(24-81)(25-93)(26-69)(27-74)(28-72)(29-82)(30-82)(31-82)(32-78)(33-75)(34-94)(35-94)(36-76)(37-79)(38-77)(39-73)(40-53)(41-53)(42-53)(43-91)(44-99)(45-85)(46-85)(47-100)(48-99)(49-100)(50-104)(51-103)(52-102)(53-89)(54-63)(54-95)(55-56)(55-86)(56-57)(57-83)(58-59)(58-60)(59-87)(60-84)(61-64)(61-95)(62-68)(62-96)(63-65)(64-65)(66-68)(66-70)(67-70)(67-96)(69-71)(69-97)(71-72)(72-74)(73-78)(73-79)(74-75)(75-97)(76-78)(76-98)(77-79)(77-98)(80-81)(80-93)(81-94)(82-105)(83-106)(84-107)(85-99)(85-102)(86-87)(86-106)(87-107)(88-89)(88-100)(88-103)(89-108)(90-101)(90-104)(91-103)(91-108)(92-102)(92-104)(92-105)(93-109)(94-110)(95-109)(96-109)(97-110)(98-110)(99-111)(100-111)(105-112)(106-112)(107-112)(108-112)(111-112)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| U251 | 30 | — | 10.1016/j.ica.2020.119501 | 2020 |
| CCD-1029Sk | 37 | — | 10.1016/j.ica.2020.119501 | 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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