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Complex #6817 — Rh(3) [10]

2D Structure

Structure
⬇ MOL V3000

Info

ID6817
MetalRh
Oxidation state3
Charge0
Donor atoms{"O": 1, "N": 3}
Abbreviation10
SMILESCCO.Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]

TUCAN

C21H23N3O2Rh/(1-26)(2-30)(3-24)(4-33)(5-28)(6-26)(7-31)(8-25)(9-25)(10-24)(11-29)(12-24)(13-25)(14-26)(15-32)(16-43)(17-43)(18-27)(19-27)(20-27)(21-46)(22-45)(23-49)(24-34)(25-35)(26-37)(27-43)(28-37)(28-39)(29-32)(29-34)(30-34)(30-36)(31-36)(31-38)(32-41)(33-35)(33-40)(35-37)(36-41)(38-42)(38-44)(39-40)(39-45)(40-47)(41-46)(42-45)(42-47)(43-49)(44-46)(44-48)(47-50)(49-50)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H4608.2— 10.1016/j.ejmech.2018.03.074 2018
HepG28.8— 10.1016/j.ejmech.2018.03.074 2018
MGC-8039.4— 10.1016/j.ejmech.2018.03.074 2018
HeLa22910— 10.1016/j.ejmech.2018.03.074 2018
HL-770214— 10.1016/j.ejmech.2018.03.074 2018

🧬 Cell Death Types (1)

Apoptosis high
«complex 9 caused cell cycle arrest at the G2/M phase and induced apoptosis (abstract). Also: 'Therefore, complex 9 is a potent apoptosis inducer' (section 2.9) and 'Hence, complex 9 induced cell apopt...»

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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