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Complex #6253 — Re(1) [3a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6253
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
Abbreviation3a
SMILESClCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12

TUCAN

C21H14ClN3O3Re/(1-27)(2-18)(3-28)(4-29)(5-26)(6-35)(7-16)(8-19)(9-15)(10-17)(11-20)(12-21)(13-22)(14-35)(15-18)(15-23)(16-22)(16-26)(17-20)(17-23)(18-27)(19-21)(19-28)(20-24)(21-24)(22-25)(23-30)(24-31)(25-29)(25-35)(26-38)(27-36)(28-37)(29-38)(30-31)(30-36)(31-37)(32-39)(33-40)(34-41)(35-42)(36-43)(37-43)(38-43)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR37— 10.1021/acsami.7b01764 2017
HeLa65— 10.1021/acsami.7b01764 2017
A54976— 10.1021/acsami.7b01764 2017
LO2—— 10.1021/acsami.7b01764 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.

experimental validation surface
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