Info
| ID | 1489 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 |
TUCAN
C59H41N9O2Ru/(1-42)(2-47)(3-42)(4-83)(5-64)(6-65)(7-51)(8-48)(9-59)(10-49)(11-70)(12-42)(13-56)(14-50)(15-43)(16-60)(17-84)(18-55)(19-43)(20-43)(21-57)(22-54)(23-66)(24-44)(25-58)(26-69)(27-44)(28-67)(29-52)(30-71)(31-61)(32-46)(33-68)(34-62)(35-63)(36-53)(37-44)(38-45)(39-45)(40-45)(41-102)(42-85)(43-88)(44-94)(45-97)(46-51)(46-72)(47-48)(47-85)(48-74)(49-71)(49-75)(50-55)(50-74)(51-83)(52-53)(52-73)(53-63)(54-73)(54-89)(55-75)(56-59)(56-78)(57-58)(57-78)(58-82)(59-88)(60-62)(60-84)(61-65)(61-79)(62-80)(63-89)(64-65)(64-77)(66-67)(66-81)(67-68)(68-79)(69-70)(69-82)(70-94)(71-97)(72-91)(72-93)(73-98)(74-86)(75-87)(76-77)(76-79)(76-81)(77-99)(78-95)(80-90)(80-92)(81-100)(82-96)(83-101)(84-105)(85-104)(86-87)(86-104)(87-109)(88-107)(89-103)(90-91)(90-106)(91-102)(92-93)(92-105)(93-101)(94-108)(95-96)(95-107)(96-108)(97-109)(98-102)(98-106)(99-103)(99-110)(100-103)(100-111)(104-112)(105-112)(106-112)(107-112)(108-112)(109-112)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 6.2 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| PC-12 | 14 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| SiHa | 22 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| HepG2 | 55 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| LO2 | 68 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| HeLa | 69 | — | 10.1016/j.inoche.2016.06.020 | 2016 |
| EC109 | — | — | 10.1016/j.inoche.2016.06.020 | 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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