Info
| ID | 257 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6, "O": 1} |
| Abbreviation | [5]NO3 |
| SMILES | CC1(C)S[C@@H]2[C@H](N=C([O-])Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC(=O)[C@@H]3N4C(=O)[C@@H](N=C(O)Cc5ccccc5)[C@H]4SC3(C)C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C58H61N6O12RuS2/(1-71)(2-78)(3-65)(4-64)(5-106)(6-97)(7-88)(8-67)(9-67)(10-67)(11-88)(12-65)(13-64)(14-77)(15-69)(16-62)(17-62)(18-65)(19-80)(20-62)(21-74)(22-70)(23-104)(24-100)(25-101)(26-87)(27-107)(28-105)(29-66)(30-73)(31-63)(32-79)(33-118)(34-63)(35-96)(36-95)(37-81)(38-66)(39-64)(40-87)(41-66)(42-63)(43-106)(44-86)(45-82)(46-68)(47-68)(48-68)(49-75)(50-72)(51-85)(52-102)(53-107)(54-76)(55-103)(56-84)(57-105)(58-104)(59-83)(60-119)(61-133)(62-95)(63-95)(64-89)(65-116)(66-116)(67-117)(68-117)(69-94)(69-98)(70-71)(70-90)(71-89)(72-73)(72-90)(73-89)(74-93)(74-96)(75-82)(75-92)(76-94)(76-97)(77-78)(77-80)(78-79)(79-81)(80-91)(81-91)(82-83)(83-84)(84-85)(85-92)(86-93)(86-99)(87-91)(87-109)(88-92)(88-111)(90-95)(93-113)(94-115)(96-120)(97-124)(98-99)(98-124)(99-120)(100-112)(100-117)(100-122)(101-110)(101-118)(101-121)(102-114)(102-116)(102-123)(103-108)(103-119)(103-125)(104-105)(104-134)(105-137)(106-107)(106-136)(107-135)(108-122)(108-126)(109-121)(109-133)(110-123)(110-129)(111-125)(111-131)(112-127)(112-135)(113-128)(113-137)(114-130)(114-134)(115-132)(115-136)(116-138)(117-139)(118-123)(118-138)(119-122)(119-139)(124-140)(125-140)(134-140)(135-140)(136-140)(137-140)(139-140)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.9e+02 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| MCF-7 | 2.7e+02 | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| A2780 | — | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| A2780cisR | — | — | 10.1021/acs.inorgchem.1c00641 | 2021 |
| HEK293T | — | — | 10.1021/acs.inorgchem.1c00641 | 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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