Info
| ID | 3542 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ru-mBDP |
| SMILES | COc1ccc(/C=C/C2=[N+]3C(=C(c4ccnc(-c5cc(C)ccn5)c4)c4c(C)cc(/C=C/c5ccc(OC)cc5)n4[B-]3(F)F)C(C)=C2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C60H51BF2N8O2Ru/(1-57)(2-69)(3-54)(4-67)(5-56)(6-58)(7-74)(8-61)(9-60)(10-53)(11-66)(12-83)(13-59)(14-62)(15-53)(16-64)(17-72)(18-70)(19-63)(20-85)(21-54)(22-82)(23-76)(24-65)(25-77)(26-54)(27-109)(28-93)(29-95)(30-79)(31-53)(32-96)(33-73)(34-109)(35-109)(36-84)(37-68)(38-71)(39-110)(40-94)(41-55)(42-81)(43-80)(44-55)(45-75)(46-110)(47-97)(48-98)(49-110)(50-78)(51-55)(52-113)(52-114)(52-123)(52-124)(53-87)(54-92)(55-86)(56-61)(56-99)(57-61)(57-93)(58-64)(58-95)(59-65)(59-97)(60-64)(60-100)(62-65)(62-101)(63-80)(63-102)(66-72)(66-111)(67-70)(67-112)(68-92)(68-106)(69-90)(69-104)(70-89)(71-85)(71-112)(72-88)(73-76)(73-111)(74-83)(74-89)(75-90)(75-94)(76-88)(77-87)(77-105)(78-79)(78-105)(79-88)(80-81)(81-98)(82-92)(82-96)(83-107)(84-86)(84-107)(85-89)(86-103)(87-108)(90-91)(91-103)(91-108)(93-115)(94-117)(95-118)(96-116)(97-119)(98-120)(99-100)(99-115)(100-118)(101-102)(101-119)(102-120)(103-114)(104-106)(104-117)(105-113)(106-116)(107-114)(108-113)(109-122)(110-121)(111-122)(112-121)(115-125)(116-125)(117-125)(118-125)(119-125)(120-125)(122-125)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | — | 0.029 | 10.1039/d0cc06926d | 2021 |
| A549 | — | 0.066 | 10.1039/d0cc06926d | 2021 |
| HeLa | — | 0.049 | 10.1039/d0cc06926d | 2021 |
| SGC-7901 | — | 0.14 | 10.1039/d0cc06926d | 2021 |
| HepG2 | — | 0.11 | 10.1039/d0cc06926d | 2021 |
| LO2 | — | 0.12 | 10.1039/d0cc06926d | 2021 |
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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