[4-[(e)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CED0280289)

Record Information

Version

1.0

Creation Date

2026-08-30 10:08:27 UTC

Update Date

2026-08-30 10:08:27 UTC

SynCED ID

CED0280289

Secondary Accession Numbers

CHEM325621

Identification

Common Name

[4-[(e)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Class

Small Molecule

Description

[4-[(e)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is a chemical compound with the formula C22H15Cl2N3O4. It has an average molecular weight of 456.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₁₅Cl₂N₃O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

455.044 g/mol

CAS Registry Number

764655-47-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI Identifier

InChI=1S/C22H15Cl2N3O4/c23-15-8-11-18(19(24)12-15)22(30)31-17-9-6-14(7-10-17)13-25-27-21(29)20(28)26-16-4-2-1-3-5-16/h1-13H,(H,26,28)(H,27,29)/b25-13+

InChI Key

ONFORIGPECVYIS-DHRITJCHSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5267.0 Log mg/kg [3000:9400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
No Sources linked to this compound

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.378 Applicability Domain 0.516 Statistical Significance 0.0027 Supporting Reference Compounds 425 E-value 20.7857
Click to view 3D structure	Probable G-protein coupled receptor 27	Q9NS67	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.391 Statistical Significance 8.10e-04 Supporting Reference Compounds 2 E-value 6.30579
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.516 Statistical Significance 4.20e-04 Supporting Reference Compounds 104 E-value 3.26967
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.418 Statistical Significance 0.0015 Supporting Reference Compounds 147 E-value 11.9888
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 1	Q2TV84	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 0.0018 Supporting Reference Compounds 1 E-value 14.4021
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.516 Statistical Significance 0.002 Supporting Reference Compounds 166 E-value 15.6477
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.516 Statistical Significance 0.0041 Supporting Reference Compounds 118 E-value 31.996
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.418 Statistical Significance 0.0025 Supporting Reference Compounds 109 E-value 19.5402
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.418 Statistical Significance 0.0026 Supporting Reference Compounds 128 E-value 20.4743
Click to view 3D structure	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.462 Statistical Significance 0.0018 Supporting Reference Compounds 63 E-value 14.4021
Click to view 3D structure	Sentrin-specific protease 6	Q9GZR1	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.516 Statistical Significance 8.20e-04 Supporting Reference Compounds 93 E-value 6.38364
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.462 Statistical Significance 0.0108 Supporting Reference Compounds 343 E-value 84.0772
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.4 Statistical Significance 0.0069 Supporting Reference Compounds 114 E-value 53.6381
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.364 Statistical Significance 0.0031 Supporting Reference Compounds 75 E-value 24.0554
Click to view 3D structure	Beta-adrenergic receptor kinase 1	P25098	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.358 Statistical Significance 0.0024 Supporting Reference Compounds 76 E-value 18.8395
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.344 Statistical Significance 0.0333 Supporting Reference Compounds 315 E-value 259.316
Click to view 3D structure	G protein-coupled receptor kinase 5	P34947	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.358 Statistical Significance 0.0311 Supporting Reference Compounds 243 E-value 242.267
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM10	P87108	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.364 Statistical Significance 0.0018 Supporting Reference Compounds 64 E-value 13.7015
Click to view 3D structure	G protein-coupled receptor kinase 3	P35626	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.358 Statistical Significance 0.0012 Supporting Reference Compounds 24 E-value 9.6533
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 5	P54829	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.361 Statistical Significance 0.0013 Supporting Reference Compounds 31 E-value 10.3539
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.333 Statistical Significance 0.0979 Supporting Reference Compounds 553 E-value 762.377
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.357 Statistical Significance 0.0144 Supporting Reference Compounds 205 E-value 112.492
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.358 Statistical Significance 0.1531 Supporting Reference Compounds 811 E-value 1192.18
Click to view 3D structure	rRNA adenine N-6-methyltransferase	P02979	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.278 Low confidence Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	23S rRNA methylase leader peptide	P10739	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.278 Low confidence Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053