Info
| ID | 618 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6, "O": 1, "P": 1} |
| Abbreviation | RT152 |
| SMILES | O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2ccnc(-c3cc(COC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)ccn3)c2)N1.O=C[c-]1cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C56H60N6O7PRuS2/(1-64)(2-66)(3-62)(4-77)(5-63)(6-69)(7-103)(8-86)(9-65)(10-74)(11-68)(12-79)(13-115)(14-61)(15-67)(16-95)(17-71)(18-75)(19-80)(20-86)(21-70)(22-76)(23-113)(24-72)(25-87)(26-90)(27-90)(28-84)(29-113)(30-100)(31-99)(32-84)(33-116)(34-114)(35-85)(36-87)(37-85)(38-73)(39-91)(40-82)(41-96)(42-91)(43-78)(44-89)(45-83)(46-81)(47-88)(48-104)(49-88)(50-101)(51-104)(52-105)(53-105)(54-114)(55-102)(56-89)(57-117)(58-118)(59-120)(60-119)(61-62)(61-63)(62-64)(63-66)(64-110)(65-68)(65-79)(66-110)(67-69)(67-111)(68-92)(69-72)(70-79)(70-92)(71-74)(71-111)(72-74)(73-75)(73-80)(75-76)(76-112)(77-93)(77-97)(78-93)(78-95)(80-81)(81-112)(82-94)(82-98)(83-94)(83-96)(84-85)(84-86)(85-87)(86-115)(87-108)(88-89)(88-109)(89-91)(90-91)(90-116)(92-103)(93-104)(94-105)(95-121)(96-122)(97-98)(97-121)(98-122)(99-100)(99-115)(99-118)(100-113)(100-117)(101-102)(101-114)(101-119)(102-116)(102-120)(103-123)(104-128)(105-129)(106-117)(106-118)(106-124)(107-119)(107-120)(107-127)(108-125)(108-128)(109-126)(109-129)(110-130)(111-130)(112-130)(113-131)(114-132)(115-131)(116-132)(121-133)(122-133)(128-133)(129-133)(130-133)(131-133)(132-133)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 16 | — | 10.1016/j.jinorgbio.2023.11243... | 2024 |
| MDA-MB-231 | 26 | — | 10.1016/j.jinorgbio.2023.11243... | 2024 |
| V79 | — | — | 10.1016/j.jinorgbio.2023.11243... | 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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