Info
| ID | 1244 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1 |
TUCAN
C53H60N10Ru/(1-61)(2-61)(3-61)(4-73)(5-62)(6-81)(7-62)(8-99)(9-62)(10-63)(11-63)(12-63)(13-79)(14-64)(15-64)(16-64)(17-65)(18-65)(19-74)(20-100)(21-75)(22-65)(23-66)(24-101)(25-66)(26-66)(27-67)(28-67)(29-67)(30-68)(31-68)(32-77)(33-68)(34-69)(35-76)(36-69)(37-97)(38-69)(39-70)(40-70)(41-102)(42-70)(43-78)(44-71)(45-82)(46-96)(47-98)(48-96)(49-83)(50-84)(51-96)(52-104)(53-71)(54-103)(55-80)(56-71)(57-72)(58-72)(59-72)(60-115)(61-92)(62-92)(63-92)(64-93)(65-93)(66-93)(67-94)(68-94)(69-94)(70-95)(71-95)(72-95)(73-87)(73-109)(74-88)(74-110)(75-87)(75-99)(76-88)(76-100)(77-89)(77-111)(78-89)(78-101)(79-81)(79-97)(80-82)(80-90)(81-85)(82-102)(83-91)(83-104)(84-91)(84-112)(85-106)(85-107)(86-98)(86-103)(86-113)(87-92)(88-93)(89-94)(90-105)(90-108)(91-95)(96-117)(97-114)(98-116)(99-119)(100-120)(101-121)(102-122)(103-117)(104-123)(105-107)(105-118)(106-108)(106-114)(107-115)(108-122)(109-110)(109-119)(110-120)(111-112)(111-121)(112-123)(113-115)(113-118)(116-117)(118-124)(119-124)(120-124)(121-124)(122-124)(123-124)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 14 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| HepG2 | 27 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| A549 | 34 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| LO2 | 50 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| SiHa | 51 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| HeLa | 82 | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
| SGC-7901 | — | — | 10.1016/j.ejmech.2017.07.066 | 2017 |
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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