Info
| ID | 2763 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "O": 1} |
| Abbreviation | 1 |
| SMILES | CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2 |
TUCAN
C56H59N9O4Ru/(1-60)(2-60)(3-60)(4-61)(5-101)(6-61)(7-74)(8-61)(9-62)(10-62)(11-62)(12-84)(13-63)(14-63)(15-63)(16-64)(17-64)(18-75)(19-98)(20-78)(21-64)(22-65)(23-99)(24-65)(25-65)(26-66)(27-66)(28-66)(29-67)(30-67)(31-76)(32-67)(33-100)(34-68)(35-73)(36-68)(37-79)(38-80)(39-72)(40-68)(41-81)(42-69)(43-115)(44-77)(45-115)(46-69)(47-69)(48-83)(49-70)(50-102)(51-97)(52-85)(53-70)(54-82)(55-70)(56-71)(57-71)(58-71)(59-117)(60-93)(61-93)(62-93)(63-94)(64-94)(65-94)(66-95)(67-95)(68-95)(69-96)(70-96)(71-96)(72-91)(72-113)(73-84)(73-86)(74-87)(74-106)(75-88)(75-107)(76-89)(76-108)(77-111)(77-114)(78-87)(78-98)(79-88)(79-99)(80-92)(80-109)(81-89)(81-100)(82-83)(82-90)(83-97)(84-101)(85-92)(85-102)(86-103)(86-105)(87-93)(88-94)(89-95)(90-104)(90-110)(91-111)(91-112)(92-96)(97-116)(98-119)(99-120)(100-122)(101-123)(102-124)(103-110)(103-121)(104-105)(104-116)(105-123)(106-107)(106-119)(107-120)(108-109)(108-122)(109-124)(110-117)(111-118)(112-117)(112-121)(113-114)(113-126)(114-125)(115-125)(115-126)(118-127)(118-128)(119-129)(120-129)(121-129)(122-129)(123-129)(124-129)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 4.9 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| BEL-7402 | 5 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| HeLa | 5.7 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| PC-12 | 10 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| SiHa | 16 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| LO2 | 16 | — | 10.1016/j.poly.2015.11.052 | 2016 |
| A549 | 59 | — | 10.1016/j.poly.2015.11.052 | 2016 |
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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