home← all complexes D-MPNN

Complex #6228 — Re(1) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6228
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 4, "O": 1}
Abbreviation2
SMILESCc1cc2ccc3cc(C)c(C)nc3c2nc1C.OC[C@H]1O[C@H](Oc2ccc(NC(=S)NCCCCCCNC(=S)Nc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C44H51N7O9ReS2/(1-61)(2-77)(3-77)(4-90)(5-68)(6-76)(7-76)(8-67)(9-64)(10-74)(11-62)(12-92)(13-93)(14-63)(15-75)(16-60)(17-87)(18-65)(19-87)(20-66)(21-67)(22-89)(23-66)(24-58)(25-52)(26-53)(27-53)(28-52)(29-52)(30-56)(31-57)(32-54)(33-59)(34-53)(35-55)(36-54)(37-55)(38-55)(39-54)(40-68)(41-69)(42-91)(43-69)(44-98)(45-99)(46-97)(47-96)(48-110)(49-106)(50-107)(51-108)(52-71)(53-81)(54-72)(55-83)(56-57)(56-70)(57-73)(58-70)(58-71)(59-72)(59-73)(60-61)(60-82)(61-88)(62-63)(62-78)(63-74)(64-65)(64-88)(65-82)(66-67)(66-76)(67-68)(68-69)(69-77)(70-79)(71-81)(72-83)(73-80)(74-102)(75-78)(75-102)(76-97)(77-99)(78-96)(79-80)(79-100)(80-101)(81-100)(82-98)(83-101)(84-103)(85-104)(86-105)(87-92)(87-110)(88-109)(89-91)(89-92)(89-106)(90-91)(90-93)(90-108)(91-107)(92-111)(93-109)(93-111)(94-96)(94-97)(94-112)(95-98)(95-99)(95-113)(100-114)(101-114)(102-114)(110-114)(111-114)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa90— 10.1002/chem.201101399 2011