home← all complexes Ir builderC^N familiesD-MPNN

Complex #240 — Ru(3) [NAMI-A]

2D Structure

Structure
⬇ MOL V3000

Info

ID240
MetalRu
Oxidation state3
Charge-1
Donor atoms{"S": 1, "O": 1, "N": 2}
AbbreviationNAMI-A
SMILESCS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1

TUCAN

C5H10N2ORuS/(1-13)(2-14)(3-14)(4-14)(5-15)(6-15)(7-12)(8-11)(9-15)(10-16)(11-12)(11-16)(12-17)(13-16)(13-17)(14-19)(15-19)(17-20)(18-19)(19-20)

Measurements (31)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa46— 10.1021/acs.organomet.3c00394 2024
HeLa46— 10.1002/aoc.6750 2022
MDA-MB-23159— 10.1021/acs.organomet.3c00394 2024
MDA-MB-23159— 10.1002/aoc.6750 2022
MCF-769— 10.1002/aoc.6750 2022
A54974— 10.1002/aoc.6750 2022
A54974— 10.1021/acs.organomet.3c00394 2024
L-9291.9e+02— 10.1007/s00775-019-01743-5 2019
MCF-72.9e+02— 10.1007/s00775-019-01743-5 2019
A5493e+02— 10.1007/s00775-013-1027-z 2013
HeLa3.7e+02— 10.1007/s00775-019-01743-5 2019
20085.1e+02— 10.1007/s00280-004-0773-6 2004
HT-295.1e+02— 10.1002/cmdc.200800039 2008
MCF-75.9e+02— 10.1002/cmdc.200800039 2008
A27806e+02— 10.1021/ma402078d 2014
HeLa6e+02— 10.1039/d0dt03974h 2021
AsPC-16e+02— 10.1021/ma402078d 2014
OVCAR-37.4e+02— 10.1021/ma402078d 2014
MCF-78e+02— 10.1007/s00280-004-0773-6 2004
T47D9e+02— 10.1007/s00280-004-0773-6 2004
IGROV-12e+03— 10.1007/s00280-004-0773-6 2004
MCF-7—— 10.1039/d0dt03974h 2021
L-929—— 10.1039/d0dt03974h 2021
MCF-10A—— 10.1002/aoc.6750 2022
S180—— 10.1039/d3nr02707d 2023
LLC—— 10.1039/d3nr02707d 2023
A549—— 10.1039/d3nr02707d 2023
LO2—— 10.1039/d3nr02707d 2023
A2780—— 10.1039/c0mt00101e 2011
A2780cisR—— 10.1039/c0mt00101e 2011
MCF-10A—— 10.1021/acs.organomet.3c00394 2024

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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