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Complex #1757 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID1757
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3}
Abbreviation2a
SMILESCc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[Cl-].[Cl-]

TUCAN

C21Cl2N3O2Ru/(1-14)(2-13)(3-13)(4-7)(4-15)(5-6)(5-20)(6-21)(7-14)(8-10)(8-16)(9-11)(9-14)(10-19)(11-15)(12-18)(12-19)(13-15)(16-17)(16-18)(17-24)(18-23)(19-22)(20-22)(20-25)(21-22)(21-26)(23-24)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11682— 10.1002/cplu.201402390 2015
NCI-H4601e+02— 10.1002/cplu.201402390 2015
SiHa1.6e+02— 10.1002/cplu.201402390 2015

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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