Info
| ID | 3149 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru3 |
| SMILES | Cc1ccnc(-c2cc(CCC#Cc3ccc(C=NNC(N)=O)nc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C70H52N10ORu/(1-62)(2-56)(3-61)(4-58)(5-59)(6-57)(7-64)(8-66)(9-60)(10-107)(11-79)(12-63)(13-82)(14-83)(15-73)(16-109)(17-53)(18-91)(19-89)(20-77)(21-90)(22-90)(23-88)(24-69)(25-114)(26-91)(27-67)(28-110)(29-72)(30-111)(31-74)(32-68)(33-86)(34-75)(35-65)(36-108)(37-113)(38-87)(39-71)(40-78)(41-76)(42-80)(43-84)(44-81)(45-85)(46-70)(47-53)(48-112)(49-53)(50-123)(51-126)(52-123)(53-94)(54-55)(54-101)(55-90)(56-58)(56-60)(57-63)(57-67)(58-59)(59-92)(60-64)(61-93)(61-107)(62-79)(62-95)(63-66)(64-92)(65-94)(65-113)(66-97)(67-73)(68-71)(68-76)(69-94)(69-120)(70-84)(70-85)(71-75)(72-98)(72-109)(73-97)(74-99)(74-110)(75-100)(76-78)(77-89)(77-101)(78-100)(79-96)(80-84)(80-103)(81-85)(81-103)(82-83)(82-104)(83-105)(86-102)(86-111)(87-106)(87-108)(88-106)(88-119)(89-121)(90-91)(91-106)(92-93)(93-95)(95-115)(96-98)(96-116)(97-98)(99-100)(99-104)(101-112)(102-103)(102-105)(104-117)(105-118)(107-127)(108-125)(109-128)(110-129)(111-130)(112-124)(113-131)(114-121)(114-132)(115-116)(115-127)(116-128)(117-118)(117-129)(118-130)(119-120)(119-125)(120-131)(121-124)(122-123)(122-126)(122-133)(126-132)(127-134)(128-134)(129-134)(130-134)(131-134)(132-134)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 1.8 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| A2058 | 4.7 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| MCF-7 | 13 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| A375 | 15 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
| HaCaT | 28 | — | 10.1021/acs.jmedchem.2c00580 | 2022 |
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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