Info
| ID | 674 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 1, "P": 2} |
| Abbreviation | [Ru(DOX) (PPh3)2Cl2] |
| SMILES | COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C63H58NO11P2Ru/(1-62)(2-59)(3-60)(4-64)(5-63)(6-65)(7-61)(8-68)(9-69)(10-66)(11-70)(12-67)(13-72)(14-74)(15-73)(16-77)(17-71)(18-75)(19-76)(20-78)(21-80)(22-102)(23-79)(24-90)(25-91)(26-93)(27-93)(28-94)(29-94)(30-115)(31-103)(32-104)(33-103)(34-103)(35-92)(36-95)(37-95)(38-113)(39-104)(40-59)(41-85)(42-86)(43-83)(44-81)(45-111)(46-82)(47-84)(48-87)(49-88)(50-112)(51-89)(52-59)(53-122)(54-122)(55-131)(56-132)(57-130)(58-127)(59-111)(60-61)(60-62)(61-63)(62-116)(63-64)(64-116)(65-68)(65-117)(66-70)(66-117)(67-72)(67-118)(68-69)(69-70)(71-74)(71-118)(72-73)(73-74)(75-77)(75-119)(76-78)(76-119)(77-85)(78-85)(79-80)(79-120)(80-86)(81-83)(81-120)(82-84)(82-121)(83-86)(84-87)(87-88)(88-89)(89-121)(90-91)(90-98)(91-92)(92-106)(93-102)(93-115)(94-101)(94-114)(95-113)(95-114)(96-98)(96-106)(96-107)(97-100)(97-108)(97-109)(98-108)(99-101)(99-110)(99-113)(100-107)(100-110)(101-109)(102-112)(102-122)(103-133)(104-105)(104-132)(105-114)(105-126)(106-133)(107-123)(108-124)(109-125)(110-131)(111-112)(111-128)(112-127)(113-129)(114-130)(115-128)(115-129)(116-134)(117-134)(118-134)(119-135)(120-135)(121-135)(130-136)(131-136)(132-136)(133-136)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 48 | — | 10.1016/j.molliq.2024.124684 | 2024 |
| K-562 | 68 | — | 10.1016/j.molliq.2024.124684 | 2024 |
| MCF-10A | 70 | — | 10.1016/j.molliq.2024.124684 | 2024 |
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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