home← all complexes D-MPNN

Complex #4529 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4529
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccn3)[nH]c21.[Cl-]

TUCAN

C30H25N3O2Ru/(1-31)(2-48)(3-32)(4-33)(5-26)(6-49)(7-37)(8-39)(9-35)(10-38)(11-40)(12-36)(13-34)(14-29)(15-30)(16-27)(17-26)(18-27)(19-27)(20-28)(21-28)(22-26)(23-28)(24-41)(25-56)(26-45)(27-48)(28-48)(29-34)(29-50)(30-35)(30-43)(31-32)(31-45)(32-46)(33-41)(33-46)(34-38)(35-36)(36-40)(37-39)(37-47)(38-49)(39-51)(40-44)(41-45)(42-47)(42-52)(42-55)(43-44)(43-54)(44-55)(46-48)(47-54)(49-57)(50-53)(50-57)(51-52)(51-58)(52-56)(53-56)(53-58)(54-60)(55-59)(57-61)(58-61)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MIA PaCa-21.1 10.1039/c8dt04687e 2018
MDA-MB-2311.5 10.1039/c8dt04687e 2018
HepG21.7 10.1039/c8dt04687e 2018