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Complex #6251 — Re(1) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID6251
MetalRe
Oxidation state1
Charge0
Donor atoms{"N": 2, "O": 3}
Abbreviation9
SMILESCCCCn1[c-][n+](-c2ccccn2)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C15BrN3O3Re/(1-4)(2-3)(2-6)(3-10)(4-5)(5-7)(6-12)(7-18)(8-9)(8-18)(9-17)(10-16)(11-17)(11-18)(12-16)(12-17)(13-19)(14-20)(15-21)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
AsPC-14— 10.1002/chem.201701208 2017
HPAF-II5.6— 10.1002/chem.201701208 2017
CFPAC5.7— 10.1002/chem.201701208 2017
HEK293T15— 10.1002/chem.201701208 2017

🧬 Cell Death Types (1)

Apoptosis high
«compound 4a induced cell apoptosis as confirmed using a different assay (Caspase-Glo® 3/7 Assay System)»

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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