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Complex #296 — Ru(2) [Ru3]

2D Structure

Structure
⬇ MOL V3000

Info

ID296
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu3
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C60H40N6Ru/(1-42)(2-89)(3-49)(4-90)(5-92)(6-56)(7-41)(8-91)(9-58)(10-73)(11-55)(12-93)(13-47)(14-44)(15-45)(16-67)(17-48)(18-46)(19-50)(20-72)(21-43)(22-53)(23-59)(24-52)(25-60)(26-57)(27-61)(28-64)(29-94)(30-54)(31-63)(32-62)(33-65)(34-66)(35-51)(36-69)(37-74)(38-68)(39-70)(40-71)(41-42)(41-45)(42-44)(43-58)(43-77)(44-46)(45-76)(46-76)(47-48)(47-53)(48-50)(49-55)(49-75)(50-78)(51-54)(51-63)(52-53)(52-78)(54-60)(55-79)(56-80)(56-89)(57-62)(57-77)(58-90)(59-61)(59-82)(60-81)(61-86)(62-88)(63-64)(64-81)(65-66)(65-68)(66-87)(67-83)(67-91)(68-71)(69-73)(69-88)(70-71)(70-87)(72-84)(72-93)(73-92)(74-85)(74-94)(75-80)(75-96)(76-80)(77-95)(78-83)(79-83)(79-97)(81-84)(82-84)(82-99)(85-86)(85-87)(86-100)(88-98)(89-102)(90-101)(91-103)(92-104)(93-105)(94-106)(95-98)(95-101)(96-97)(96-102)(97-103)(98-104)(99-100)(99-105)(100-106)(101-107)(102-107)(103-107)(104-107)(105-107)(106-107)

Measurements (21)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71.2 10.1002/cmdc.202300347 2023
H3583.5 10.1002/cmdc.202300347 2023
HeLa18 10.1002/chem.201300814 2013
HepG221 10.1002/chem.201300814 2013
LO224 10.1002/chem.201300814 2013
A549cisR25 10.1002/chem.201300814 2013
A54928 10.1002/chem.201300814 2013
A549 10.1016/j.jinorgbio.2023.11229... 2023
HeLa 10.1016/j.jinorgbio.2023.11229... 2023
HepG2 10.1016/j.jinorgbio.2023.11229... 2023
MCF-7 10.1016/j.jinorgbio.2023.11229... 2023
BEAS-2B 10.1016/j.jinorgbio.2023.11229... 2023
CT-260.09 10.1021/acs.inorgchem.3c02606 2023
CT-268 10.1021/acs.inorgchem.3c02606 2023
CT-2610 10.1021/acs.inorgchem.3c02606 2023
HT-291.6 10.1021/acs.inorgchem.3c02606 2023
HT-293.2 10.1021/acs.inorgchem.3c02606 2023
HT-2932 10.1021/acs.inorgchem.3c02606 2023
RPE-10.9 10.1021/acs.inorgchem.3c02606 2023
RPE-17.8 10.1021/acs.inorgchem.3c02606 2023
RPE-117 10.1021/acs.inorgchem.3c02606 2023

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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