Info
| ID | 4817 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 5 |
| SMILES | Nc1ccnc(-c2cc(NCCNC(=O)CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C70H57N11O4RuS/(1-59)(2-61)(3-58)(4-65)(5-60)(6-62)(7-77)(8-63)(9-71)(10-74)(11-75)(12-64)(13-79)(14-70)(15-109)(16-85)(17-110)(18-88)(19-76)(20-83)(21-90)(22-111)(23-69)(24-68)(25-94)(26-95)(27-94)(28-112)(29-82)(30-92)(31-81)(32-66)(33-93)(34-95)(35-113)(36-72)(37-84)(38-78)(39-114)(40-114)(41-67)(42-87)(43-73)(44-80)(45-89)(46-86)(47-108)(48-91)(49-115)(50-115)(51-131)(52-132)(53-129)(54-132)(55-130)(56-128)(57-128)(58-65)(58-97)(59-60)(59-63)(60-61)(61-96)(62-63)(62-96)(64-71)(64-77)(65-99)(66-108)(66-119)(67-121)(67-123)(68-69)(68-122)(69-127)(70-71)(70-79)(72-76)(72-85)(73-76)(73-87)(74-98)(74-109)(75-101)(75-110)(77-102)(78-80)(78-86)(79-102)(80-89)(81-93)(81-127)(82-112)(82-121)(83-103)(83-111)(84-107)(84-113)(85-104)(86-91)(87-104)(88-90)(88-100)(89-105)(90-106)(91-105)(92-119)(92-124)(93-122)(94-95)(94-125)(95-126)(96-98)(97-98)(97-116)(99-101)(99-117)(100-103)(100-118)(101-102)(103-104)(105-107)(106-107)(106-120)(108-133)(109-134)(110-135)(111-136)(112-138)(113-137)(114-115)(114-131)(115-130)(116-117)(116-134)(117-135)(118-120)(118-136)(119-130)(120-137)(121-128)(122-129)(123-124)(123-138)(124-133)(125-129)(125-139)(126-131)(126-140)(127-143)(132-143)(133-144)(134-144)(135-144)(136-144)(137-144)(138-144)(141-143)(142-143)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 0.2 | 10.1039/d3sc03932c | 2023 |
| A549 | — | 6.1 | 10.1039/d3sc03932c | 2023 |
| A549 | — | 13 | 10.1039/d3sc03932c | 2023 |
| A549 | — | — | 10.1039/d3sc03932c | 2023 |
| MDA-MB-231 | — | 0.3 | 10.1039/d3sc03932c | 2023 |
| MDA-MB-231 | — | 2 | 10.1039/d3sc03932c | 2023 |
| MDA-MB-231 | — | 3 | 10.1039/d3sc03932c | 2023 |
| MDA-MB-231 | — | 10 | 10.1039/d3sc03932c | 2023 |
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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