Exact Mass: 173.0436542

CONFIDENCE standard compound; EAWAG_UCHEM_ID 652 KEIO_ID S073

Quinaldic acid

2-Quinolinylcarboxylic acid

Quinaldic acid, also known as quinaldate, 2-carboxyquinoline, or quinoline-2-carboxylic acid, belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. The quinoline ring system is a double-ring structure composed of a benzene and a pyridine ring fused at two adjacent carbon atoms. Quinaldic acid is a quinoline having a carboxy group at the 2-position. It is a solid that is moderately soluble in water with a melting point of 156¬∞C. Quinaldic acid is a metabolite of tryptophan degradation that is formed via the kynurenine pathway; it is formed through the dehydroxylation of the intermediate kynurenic acid (PMID: 13385219). It is excreted in urine, and its urine concentration is decreased in individuals suffering from chronic alcoholism (PMID: 25754126). Quinaldic acid has been shown to inhibit proinsulin synthesis in pancreatic islet cells (PMID: 373355). Quinaldic acid has been shown to have anti-proliferative or anti-tumour effects and has been found to alter the expression of the p53 tumour suppressor gene as well as the phosphorylation of the p53 protein in in vitro studies (PMID: 30780127). A product of l-tryptophan catabolism, via kynurenic acid, found in human urine. [HMDB] Quinoline-2-carboxylic acid is an endogenous metabolite.

Allidochlor

2-chloro-N,N-bis(prop-2-en-1-yl)acetamide

1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

1,2,5,6-tetrahydro-4H-pyrrolo(3,2,1-Ij)quinolin-4-one (9ci)

1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one is a fungicide against rice blast disease. Fungicide against rice blast disease

Deisopropylatrazine

6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine

C5H8ClN5 (173.04681979999998)

CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6172; ORIGINAL_PRECURSOR_SCAN_NO 6168 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6175; ORIGINAL_PRECURSOR_SCAN_NO 6173 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6181; ORIGINAL_PRECURSOR_SCAN_NO 6180 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6202; ORIGINAL_PRECURSOR_SCAN_NO 6200 CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6192; ORIGINAL_PRECURSOR_SCAN_NO 6191 CONFIDENCE standard compound; EAWAG_UCHEM_ID 287 CONFIDENCE standard compound; INTERNAL_ID 2539 CONFIDENCE standard compound; INTERNAL_ID 3726 CONFIDENCE standard compound; INTERNAL_ID 4030 CONFIDENCE standard compound; INTERNAL_ID 8411 KEIO_ID A203

Quinoline-4-carboxylic acid

NSC 13138 is an endogenous metabolite.

2-Aminobenzenesulfonic acid

1-Aminobenzene-2-sulphonic acid

2-Aminobenzenesulfonic acid is an endogenous metabolite.

N-Acetyl-L-glutamate 5-semialdehyde

N-Acetyl-L-glutamic acid gamma-semialdehyde

N-Acetyl-L-glutamate 5-semialdehyde is an intermediate in Urea cycle and metabolism of amino groups. N-Acetyl-L-glutamate 5-semialdehyde is the. second to last step in the synthesis of L-Ornithine and is converted. from N-Acetyl-L-glutamate 5-phosphate via the enzyme N-acetyl-gamma-glutamyl-phosphate reductase (EC 1.2.1.38). It is then converted to N-Acetylornithine via the enzyme acetylornithine aminotransferase (EC 2.6.1.11). N-Acetyl-L-glutamate 5-semialdehyde is an intermediate in Urea cycle and metabolism of amino groups. N-Acetyl-L-glutamate 5-semialdehyde is the

2-Oxoarginine

5-[(diaminomethylidene)amino]-2-oxopentanoic acid

2-Oxoarginine is a guanidino compound metabolite of arginine catabolism. 2-Oxoarginine levels are increased in patients with argininemia (OMIM:207800). Argininemia, characterized by arginase deficiency (EC 3.5.3.1, catalyzes the last step of the urea cycle) is an autosomal recessive inborn error of metabolism caused by a defect in the final step in the urea cycle, the hydrolysis of arginine to urea and ornithine. Accumulation of arginine metabolites (such as guanidino compounds) especially 2-oxoarginine, may produce the central nervous system damage in argininemia. (PMID: 3433275 , 1588833 , 1690873 , 819629). 2-Oxoarginine has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). 2-Oxoarginine is a guanidino compound metabolite of arginine catabolism. 2-Oxoarginine levels are increased in patients with argininemia (OMIM:207800). Argininemia, characterized by arginase deficiency (EC 3.5.3.1, catalyzes the last step of the urea cycle) is an autosomal recessive inborn error of metabolism caused by a defect in the final step in the urea cycle, the hydrolysis of arginine to urea and ornithine. Accumulation of arginine metabolites (such as guanidino compounds) especially 2-oxoarginine, may produce the central nervous system damage in argininemia. (PMID: 3433275, 1588833, 1690873, 819629) [HMDB]

Metanilic acid

3-Aminobenzenesulfonic acid

5-Deoxy-5-aminoshikimic acid

1,3-Dimethyl-8-isoquinolinol

5-(Carboxymethyl)proline

(2S,5S)-trans-Carboxymethylproline

Azaserine

(E)-1-[(2S)-2-amino-2-carboxyethoxy]-2-diazonioethenolate

A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. C471 - Enzyme Inhibitor > C2158 - Glutamine Amidotransferase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

2-NITRONAPHTHALENE

C6H12N3OP (173.07179519999997)

Triethylenephosphoramide

1-[bis(aziridin-1-yl)phosphoroso]aziridine

D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

2-Aminovalienone

1-nitronaphthalene

alpha-Nitronaphthalene

1-nitronaphthalene is also known as Nitrol D009676 - Noxae > D002273 - Carcinogens

2-(Methylsulfonyl)pyrimidin-5-amine

4-Amino-2-methyl-1-naphthol

1-Naphthol, 4-amino-2-methyl-, hydrochloride (8ci)

Vitamin. 4-Amino-2-methyl-1-naphthol is used as a food preservative. Vitamin. It is used as a food preservative.

(1r,3r)-1-Aminocyclopentane-1,3-dicarboxylic acid

1-Amino-1,3-dicarboxycyclopentane, trans-(1R,3S)-isomer

D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents trans-ACPD, a metabotropic receptor agonist, produces calcium mobilization and an inward current in cultured cerebellar Purkinje neurons.

(4-Aminophenyl)phosphonic acid

Phosphanilic acid, potassium salt

C6H8NO3P (173.0241788)

1-Nitroso-2-naphthol

1-nitrosonaphthalen-2-ol

4-Methoxy-2-naphthylamine

4-Methoxy beta-naphthylamine

Azaserine

2-amino-3-[(2-diazoacetyl)oxy]propanoic acid

Creatinine bicarbonate

2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl hydrogen carbonate

L-Proline, 1-acetyl-4-hydroxy-, cis-

1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid

N-Phenylmaleimide

1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione

Quinoline-3-carboxylic acid

cinchoninic acid, 3-hydroxy-

Guanidino succinic acid

2-Carbamimidamidobutanedioic acid

Guanidino succinic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Guanidino succinic acid can be found in apple and loquat, which makes guanidino succinic acid a potential biomarker for the consumption of these food products.

trigonelline chloride

Trigonelline hydrochloride

C7H7NO2.HCl (173.0243538)

Trigonelline chloride is an alkaloid with potential antidiabetic activity that can be isolated from Trigonella foenum-graecum L or Leonurus artemisia. Trigonelline chloride is a potent Nrf2 inhibitor that blocks Nrf2-dependent proteasome activity, thereby enhancing apoptosis in pancreatic cancer cells. Trigonelline chloride also has anti-HSV-1, antibacterial, and antifungal activity, and induces ferroptosis. Trigonelline chloride is an alkaloid with potential antidiabetic activity that can be isolated from Trigonella foenum-graecum L or Leonurus artemisia. Trigonelline chloride is a potent Nrf2 inhibitor that blocks Nrf2-dependent proteasome activity, thereby enhancing apoptosis in pancreatic cancer cells. Trigonelline chloride also has anti-HSV-1, antibacterial, and antifungal activity, and induces ferroptosis.

Trigonelline

Pyridinium, 3-carboxy-1-methyl-, chloride (1:1); 3-Carboxy-1-methylpyridinium chloride (7CI); Pyridinium, 3-carboxy-1-methyl-, chloride (8CI,9CI); Trigonelline, chloride (6CI); N-Methyl-3-carboxypyridinium chloride; Trigonelline hydrochloride

C7H7NO2.HCl (173.0243538)

6-Methoxylepidine

6-Methoxy-4-methylquinoline

alpha-Keto-delta-guanidino-valeric acid

4-Methoxyquinaldine

4-Methoxy-2-methylquinoline

Benzenesulfohydroxamic Acid

N-Hydroxybenzenesulfonamide

CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1402 INTERNAL_ID 1402; CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1)

phenylsulfamic acid

2-aminohept-3-enedioic acid

2-(2-carboxymethylcyclopropyl)glycine

Me glycoside-alpha-D-Pyranose-4-Amino-2,3,4-trideoxy-erythro-hex-2-enuronic acid

1-(3-Methyl-1H-indol-2-yl)ethanone

4-Methoxy-2-methylquinoline

[1,3]dioxolo[4,5-g]isoquinoline

Piperidine-2,6-dicarboxylic acid

Phlegmariuine N

4,8-Dimethylquinolin-6-ol

N-Acetyl-L-glutamate salt (1:1)-Deanol,BAN

1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid

4-methyl-6-methoxyquinoline

2-amino-4-ethylidenepentanedioic acid

1-Acetylskatole

2-Amino-4-hydroxyheptanedioic acid 7,4-lactone

8-Hydroxyquinoline-4-carbaldehyde

(E)-4-(prop-1-enyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-one|4-propenyl-6,7-dihydro[2]pyrindin-5-one|loisianin D|louisianin D

1,2-Dimethylquinolin-4(1H)-one

Louisianin C

2,3-DIMETHYLQUINOLIN-4-OL

Trigonelline

2-Quinolinecarboxylic acid

Quinoline-2-carboxylic acid

Quinoline-2-carboxylic acid is an endogenous metabolite.

Quinaldic acid

Quinoline-2-carboxylic acid

A quinolinemonocarboxylic acid having the carboxy group at the 2-position. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LOAUVZALPPNFOQ-UHFFFAOYSA-N_STSL_0207_Quinaldic acid_0125fmol_180831_S2_L02M02_32; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Quinoline-2-carboxylic acid is an endogenous metabolite.

2-oxoarginine

4-Quinolinecarboxylic acid

Quinoline-4-carboxylic acid

NSC 13138 is an endogenous metabolite.

Orthanilic acid

ANILINE-2-SULFONIC ACID

4-CARBOXYQUINOLINE

Quinaldic acid; LC-tDDA; CE10

Quinaldic acid; LC-tDDA; CE20

Quinaldic acid; LC-tDDA; CE30

4-Quinolinecarboxylate

4-Quinolinecarboxylic acid

NSC 13138 is an endogenous metabolite.

2-Quinolinecarboxylate

Quinoline-2-carboxylic acid

Quinoline-2-carboxylic acid is an endogenous metabolite.

ANILINE-2-SULFONATE

2-Aminobenzenesulfonic acid

2-Aminobenzenesulfonic acid is an endogenous metabolite.

2-Aminobenzenesulfonic acid

2-Aminobenzenesulfonic acid is an endogenous metabolite.

Ethosuximide M3

2,6-Piperidinedicarboxylic acid

Pilotys Acid

N-hydroxy-benzenesulfonamide

Benzenamine sulfate

N17-Dimethylindole-3-carboxaldehyde

Benzenemethanamine, 4-chloro-2-fluoro-a-methyl-, (aR)-

Sulfamide, 4-pyridinyl- (9CI)

(3,5-difluoro-4-methoxyphenyl)methanamine

2-phenyl-1,3-oxazole-5-carbaldehyde

3-Amino-2,6-difluorobenzoic acid

6-(1H-IMIDAZOL-2-YL)PICOLINALDEHYDE

2-Quinolineboronicacid

8-Quinolineboronic acid

Quinoline-8-carboxylic acid

2-(Difluoromethoxy)benzylamine

1-(2-PYRIMIDINYL)-1H-PYRROLE-2-CARBALDEHYDE

2-Propenoic acid,2-cyano-3-phenyl-

Guanidine, N-hydroxy-

CH7N3O5S (173.01064119999998)

(2,3-difluoro-4-methoxyphenyl)methanamine

4-chloro-6-ethoxypyrimidin-2-amine

C6H11N3OS (173.06227959999998)

5-(2-ETHOXY-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE

2-Hydroxy-2-phenylethanaminium chloride

3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE

Ethyl 4-isothiocyanatobutyrate

2-[1,2,4]Triazol-1-yl-benzaldehyde

1,3,5-Triazine-2,4-diamine,6-chloro-N2,N2-dimethyl-

C5H8ClN5 (173.04681979999998)

5-Isopropyl-3-isoxazolecarbonyl chloride

4-Cyanocinnamic acid

Isoquinoline-5-carboxylic acid

4-TERT-BUTYLTHIAZOLE-2-THIOL

C7H11NS2 (173.0332886)

4-oxochroman-7-carbonitrile

(S)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-AMINE HYDROCHLORIDE

4-(Difluoromethoxy)benzylamine

(R)-3-(1-aminoethyl)phenol hydrochloride

4-(Difluoromethoxy)-2-methylaniline

2-(Difluoromethoxy)-5-methylaniline

Benzenamine, 3-(difluoromethoxy)-4-methyl- (9CI)

4-(pyridin-4-yl)pyriMidin-2-ol

2,5-dibromopiperidine

Cis-piperidine-2,3-dicarboxylic acid is a non-specific antagonist of NMDA, AMPA and kainate ionotropic receptors and a partial agonist for NMDA receptors. Cis-piperidine-2,3-dicarboxylic acid can be used in blocking general excitatory synaptic transmissions[1].

4-Nitrophthalonitrile

C8H3N3O2 (173.0225258)

4-Methoxy-1H-indazole-5-carbonitrile

4-CHLORO-3-FLUOROBENZALDOXIME

(5-Chloro-6-methoxy-3-pyridinyl)methanol

5-tert-Butyl-2-(chloromethyl)oxazole

Isoquinoline-3-carboxylic acid

5-Amino-2,4-difluorobenzoic acid

4,5,6,7-Tetrahydro-2H-indazol-3-ylaMine dihydrochloride

2-(3-chloro-5-fluorophenyl)ethanamine

2-(1-benzothiophen-2-yl)acetonitrile

5-Methoxy-1H-indazole-3-carbonitrile

2-Picoline-3-Boronic Acid HCL

4,5-Difluoroanthranilic Acid

(R)-1-(3-Chloro-4-fluorophenyl)ethanamine

1-(2-Chloro-5-fluoro-3-pyridinyl)ethanone

TRANS-4-AMINOCYCLOHEXANE CARBOXYLIC ACID ETHYL ESTER

(5-amino-2,4-difluorophenyl)boronic acid

2-AMINO-3,5-DIFLUOROPHENYLBORONIC ACID

(1S,3R)-ACPD

3-CYANOCINNAMIC ACID

(1R,2S,6R,7S)-4,4-DIMETHYL-3,5-DIOXA-8-AZATRICYCLO[5.2.1.0(2,6)]DECAN-9-ONE

2-Amino-5-ethylphenol hydrochloride (1:1)

5-chloro-3-ethoxypyrazin-2-amine

2,6-DIFLUORO-4-NITROTOLUENE

4-Chloro-2-fluorobenzamide

4-Chloro-3-fluorobenzamide

4-aminoquinazoline-6-carbaldehyde

isoquinolin-3-ylboronic acid

1,5-Difluoro-2-methyl-3-nitro-benzene

Tyramine

Tyramine hydrochloride is an amino acid that helps regulate blood pressure. Tyramine hydrochloride occurs naturally in the body, and it's found in certain foods[1].

4-Amino-3-pyridinesulfonamide

1-(2-PYRIMIDINYL)-1H-4-PYRIDINONE

4-[1,2,4]Triazol-1-yl-benzaldehyde

2-(2-PYRIDIN-4-YL-1,3-THIAZOL-4-YL)ETHYL]AMINE

C6H7NO5 (173.0324212)

5-nitrobenzene-1,3-dicarbonitrile

C8H3N3O2 (173.0225258)

3-Chloro-5-fluorobenzamide

1-methylsulfonylpyrrole-2-carbaldehyde

N-(3-FLUORO-2-CHLORO-PHENYL)-FORMAMIDE

6-Methoxy-1H-indazole-3-carbonitrile

4-Amino-2,5-difluorobenzoic acid

6-(Difluoromethyl)-2-pyridinecarboxylic Acid

2-chloro-n-(2-furylmethyl)acetamide

8-Isoquinolinylboronic acid

4-Chloro-3-methoxy-2-methylpyridine 1-oxide

3-chloro-4-fluorobenzamide

2,3,4-trifluorophenyl isocyanate

C7H2F3NO (173.00884779999998)

Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate

Oxaceprol

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents D003879 - Dermatologic Agents D - Dermatologicals

2,2-Difluoro-1,3-benzodioxol-5-amine

5-METHYL-2,4-PYRROLIDINEDICARBOXYLIC ACID

Benzo[b]thiophene-3-acetonitrile

1,3-Difluoro-2-methyl-4-nitrobenzene

3-Quinolinylboronic acid

2-[(6-CHLORO-3-PYRIDAZINYL)AMINO]-1-ETHANOL

O-(4-METHYLBENZYL)HYDROXYLAMINE HYDROCHLORIDE

5-Methyl-3-pyridinesulfonic acid

4-(2H-1,2,3-TRIAZOL-2-YL)BENZALDEHYDE

2-CHLORO-3,4-DIMETHOXYPYRIDINE HYDROCHLORIDE

1-oxidopyridin-1-ium-2-carboximidamide,hydrochloride

2-ISOPROPYL-4-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID

(R)-2-TERT-BUTOXYCARBONYLAMINO-3-(2-HYDROXY-PHENYL)-PROPIONICACID

6-Chloro-2,3-dimethoxypyridine

Benzenemethanamine, 2,4-difluoro-3-methoxy- (9CI)

6-Methoxy-1H-indazole-5-carbonitrile

1,2,3-PROPANETRICARBOXAMIDE

2-(6-chloropyrazin-2-ylamino)ethanol

l-aspartic acid sodium salt monohydrate

C4H8NNaO5 (173.0300158)

SEMICARBAZIDE SULFATE

CH7N3O5S (173.01064119999998)

2-isocyano-4-(methylthio)butyric acid methyl ester

2-pyridin-2-yl-1H-pyrimidin-6-one

(2-CHLORO-4-NITROPHENYL)-ACETONITRILE

4-[1,2,3]Triazol-1-Yl-Benzaldehyde

1H-furo[3,4-b]indol-3(4H)-one

2-Chloro-4,6-dimethoxypyridine

Ethyl 4-chloro-1H-pyrrole-2-carboxylate

3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

2-chloro-4,5,6,7-tetrahydrobenzo[d]thiazole

2-METHYL-4-PYRIDINEBORIC ACID HCL

(3-METHYLPYRIDIN-4-YL)BORONIC ACID HYDROCHLORIDE

3-(METHYLSULFONYL)PROPAN-1-AMINE HYDROCHLORIDE

C4H12ClNO2S (173.0277242)

[2-(Aminooxy)ethyl]benzene hydrochloride (1:1)

PYRAZINE-2-CARBOXIMIDIC ACID METHYLESTER

3-morpholin-4-yl-3-oxopropanoic acid

Methyl (4-hydroxy-2-oxo-1-pyrrolidinyl)acetate

4-Fluoroindoline hydrochloride

4-Hydroxybenzenesulfonamide

4-Amino-3,5-difluorobenzoic acid

4-Ethoxy-2,6-difluoroaniline

4,6,7-trifluoro-3H-imidazo[4,5-c]pyridine

C6H2F3N3 (173.0200808)

5-Methylnicotinic acid hydrochloride

6-(2-Furyl)nicotinaldehyde

6-aMinopyridine-3-sulfonaMide

N-Methyl-p-anisidine hydrochloride ,98

1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine,hydrochloride

1-(2,6-difluoropyridin-3-yl)propan-1-ol

3-chloro-4-methylsulfanylaniline

2-hydroxy-n-methylbenzylamine hydrochloride

4-(Dimethylamino)phenol hydrochloride

2-aminobenzoic acid,hydrochloride

2-Amino-pyridine-3-carbaldehyde oxime hydrochloride

methyl 2-methoxy-2-(prop-2-enoylamino)acetate

2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde

5-CHLORO-2-(METHYLTHIO)ANILINE

(2-Aminophenyl)boronic acid hydrochloride (1:1)

p-phenetidine hydrochloride

2-[(2-chloropyrimidin-4-yl)amino]ethanol

Tiazotic acid

C - Cardiovascular system > C01 - Cardiac therapy C78274 - Agent Affecting Cardiovascular System

2-Amino-3,4-difluorobenzoic acid

3-hydroxybenzenesulfonamide

2-Fluoro-3-phenylpyridine

2-Pyridinesulfonicacid, 3-methyl-

2-Methylpyridine-3-sulfonic acid

5-Methylpyridine-2-sulfonic acid

4-Methylnicotinic acid hydrochloride

3-(chloromethyl)-5-(2-methylpropyl)-1,2-oxazole

Quinoxaline-6-carboxamide

(3-NITRO-PHENYL)-(4-NITRO-PHENYL)-ETHER

methyl 3,5-difluoropyridine-2-carboxylate

1,3-Difluoro-5-methyl-2-nitrobenzene

5-NITROPYRIMIDINE-2,4,6-TRIOL

C4H3N3O5 (173.00727080000001)

Ethyl 4-amino-1,2,5-thiadiazole-3-carboxylate

4-Aminobenzeneboronic Acid Hydrochloride

C6H11N3OS (173.06227959999998)

4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL

3-Amino-4,5-difluorophenylboronic acid

hydrochloride

3-METHYL-4-PYRIDINECARBOXYLIC ACID, HYDROCHLORIDE

4-Nitroheptanedial

4-methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene

2,6-DIFLUORO-4-METHOXYBENZYLAMINE

2-FLUOROHISTIDINE

C6H8FN3O2 (173.060052)

2-nitrobutyl prop-2-enoate

8-Hydroxyquinoline-2-carbaldehyde

8-Hydroxyquinoline-2-carboxaldehyde

4-(2-Propyn-1-yl)thiomorpholine 1,1-dioxide

2-Chloro-4-fluorobenzamide

Isoquinoline-5-boronicacid

1-Isoquinolinecarboxylic acid

(2,6-difluoro-3-methoxyphenyl)methanamine

(2,3-difluoro-6-methoxyphenyl)methanamine

Indole-3,6-dicarboxaldehyde

(4-METHYL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID

4-AMINOBENZOIC ACID HCL

levulinic acid semicarbazone

O-PHENETIDINE HYDROCHLORIDE

4-HYDROXY-4-(NITROMETHYL)CYCLOHEXANONE

2-Methyl-4-methoxyaniline(HCl)

5-Fluoro-2-phenylpyridine

(3-Aminophenyl)boronic acid hydrochloride (1:1)

2-Amino-4,5-difluorobenzoic acid

1,4-Difluoro-2-methyl-5-nitrobenzene

2-phenoxyethanamine,hydrochloride

2-(1,1-DIMETHOXYETHYL)THIAZOLE

1,2-Difluoro-3-methyl-4-nitrobenzene

4-Pyridinylacetic acid

3-Methoxy-2-methylaniline hydrochloride

2-HYDROXYQUINOLINE-6-CARBALDEHYDE

4-acetylmorpholine-2-carboxylic acid

1-PHENYL-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE

2,4-Difluorobenzene-1-carbothioamide

C7H5F2NS (173.0110754)

2-(2-FURANOYL)PYRIDINE

3-CHLORO-2-FLUOROBENZAMIDE

5-prop-2-enylsulfanyl-1,2,4-thiadiazol-3-amine

C5H7N3S2 (173.0081382)

5-Chloro-2,3-dimethoxypyridine

2-Phenyl-1,3-oxazole-4-carbaldehyde

4-Fluoroisoindoline hydrochloride

(3-Aminophenyl)phosphonic acid

C6H8NO3P (173.0241788)

1-Ethyl-3-MEthylIMIDAZOLIUM Nitrate

2,3-Difluoro-6-aminobenzoic acid

TETRAETHYLAMMONIUM PERCHLORATE

C4H12ClNO4 (173.0454822)

1-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBALDEHYDE

(4-(AMINOMETHYL)PHENYL)METHANOL HYDROCHLORIDE

3-Quinolineboronic acid

ethyl 2-oxo-2-(2-oxopropylamino)acetate

5-aminopyridine-3-sulfonamide

2,2-Difluoro-1,3-benzodioxol-4-amine

2-Ethyl-3-hydroxy-6-methylpyridine hydrochloride

CHEMBRDG-BB 7404777

3-Phenylisoxazole-5-carbaldehyde

2,4,6-Trifluorophenyl isocyanate

C7H2F3NO (173.00884779999998)

2-CHLORO-6-FLUOROBENZALDOXIME

5-(2-FURYL)PYRIDINE-2-CARBALDEHYDE

(2-Methoxyphenyl)methanamine hydrochloride

1-methylpyridin-1-ium-2-sulfonate

(alphaR)-3-Chloro-2-fluoro-alpha-MethylbenzeneMethanamine

1H-Pyrrolo[2,3-c]pyridine-7-carbonitrile,4-methoxy-(9CI)

3,5-DIFLUOROTHIOBENZAMIDE

C7H5F2NS (173.0110754)

2-chloro-N-(1-methylpyrazol-3-yl)acetamide

2-Chloro-N-(1-methyl-1H-pyrazol-3-yl)-acetamide

(2E)-3-(4-Azidophenyl)acrylaldehyde

Isopropanolamine phosphate

C3H12NO5P (173.0453072)

(5-Chloro-2-methoxypyridin-3-yl)methanol

5-Fluoroisoindoline hydrochloride

(5-Amino-2,3-difluorophenyl)boronic acid

3-methylpicolinic acid hydrochloride

5-Quinolinecarboxaldehyde,6-hydroxy-(9CI)

1H-Benzimidazole-5-carbonitrile,2-(hydroxymethyl)-(9CI)

2,6-Difluoro-3-hydroxybenzamide

Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro- (9CI)

C8H7N5 (173.07014220000002)

6-Isoquinolinylboronic acid

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

Isoquinoline-3-carboxylic acid hydrate

4-Isoquinolinecarboxylic acid

Quinoline-5-carboxylic acid

6-Isoquinolinecarboxylic acid

7-Isoquinolinecarboxylic acid

8-Isoquinolinecarboxylic acid

ethyl (2Z)-2-methoxyimino-3-oxo-butanoate

dl-b-hydroxyphenethylamine hydrochloride

4-Amino-2,3-difluorobenzoic acid

2-[(3-chloropyrazin-2-yl)amino]ethanol

N-pyridin-4-ylethane-1,2-diamine,hydrochloride

(3R,5S)-3,5-Piperidinedicarboxylic acid

1,2,4-Trifluoro-5-isocyanatobenzene

C7H2F3NO (173.00884779999998)

7-Quinolinylboronic acid

1,4-Naphthalenedione,2-amino-

(4-(2-CYANOVINYL)PHENYL)BORONIC ACID

4-Pyrimidinamine,N-ethyl-2,6-difluoro-5-methyl-(9CI)

C7H9F2N3 (173.0764498)

sodium,2-anilinoacetate

C8H8NNaO2 (173.0452708)

3(2H)-Pyridazinone, 6-(2-pyridinyl)-

[2-oxo-2-(2-oxopropylamino)ethyl] acetate

2-Chloro-5-(methylsulfanyl)aniline

BENZENESULFONAMIDE, 2-HYDROXY-

5-Quinolinylboronic acid

6-Quinolinylboronic acid

6-Quinolinecarboxylic acid

2-Nitroso-1-naphthol

7-Quinolinecarboxylic acid

2-Fluoro-6-chlorobenzamide

4-Hydroxyquinoline-3-carbaldehyde

3-Quinolinecarboxaldehyde,4-hydroxy-

8-Hydroxy-7-quinolinecarboxaldehyde

2,4-Difluoro-5-nitrotoluene

Methyl L-2-isothiocyanato-3-methylbutyrate

2-Amino-3,5-difluorobenzoic acid

1,3,4-Thiadiazol-2-amine,5-(2-propen-1-ylthio)-

C5H7N3S2 (173.0081382)

2-Pyridinesulfonicacid, 4-methyl-

2-Fluoro-4-phenylpyridine

2-Methylpyridine-4-sulfonic acid

6-Methyl-3-pyridinesulfonic acid

2-Fluoro-6-phenylpyridine

4-methyl-pyridine-3-sulfonicacid

3-Methylpyridine-4-sulfonic acid

3-Phenyl-1,2,4-triazin-6-one

5-Quinolinecarboxaldehyde,8-hydroxy-

N-Methyl-2-chloro-6-fluorobenzylamine

2-Amino-1-phenylethanol hydrochloride

5-Fluoro-2-nitro-1,3-benzenediol

C6H4FNO4 (173.0124356)

3-Methylbenzothiophene-5-carbonitrile

4-Chloro-2,6-dimethoxypyridine

2-Chloro-1-(5-fluoro-2-pyridyl)ethanone

5-METHYLPICOLINIC ACID HYDROCHLORIDE

5-Nitrobarbituric acid

C4H3N3O5 (173.00727080000001)

1-BROMOHEXAHYDRO-2H-AZEPIN-2-ONE

2-Pyridylacetic acid hydrochloride

2-(Pyridin-3-yl)acetic acid hydrochloride

4-(Carboxymethyl)pyridinium chloride

1-(2-Dimethylaminoethyl)1H-tetrazole-5-thiol

C5H11N5S (173.0735126)

6-Bromo-2-(Methylthio)thieno[2,3-d]pyrimidin-4(3H)-one

C6H4N3NaO2 (173.0201204)

1,2-Naphthalenedione,4-amino-

3-aminobenzoic acid hydrochloride

(3-OXO-1-PIPERAZINYL)ACETICACID

(3,5-difluoro-2-methoxyphenyl)methanamine

N-Vinylphthalimide

4-Chloro-6-methoxy-2-methyl-5-pyrimidinamine

2-Pyridinesulfonicacid, 6-methyl-

3-(oxazol-5-yl)benzaldehyde

L-Proline, 4-(acetyloxy)-, (4S)- (9CI)

quinoline-3-carboxylic acid

COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

2-(Difluoromethyl)pyridine-3-carboxylic acid

1H-Benzimidazole-5-carbonitrile,2,3-dihydro-1-methyl-2-oxo-(9CI)

(4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester

N-Acetyl-4-hydroxy-L-proline

Benzenemethanamine, 2-chloro-6-fluoro-a-methyl-, (aS)-

(±)-1-Aminocyclopentane-cis-1,2-dicarboxylic Acid

METHYL 2,6-DIFLUORONICOTINATE

3-chloro-4-methoxy-2-methylpyridine N-oxide

quinolin-3-ylboronic acid

3-(4-CHLORO-3-METHYL-PYRAZOL-1-YL)-PROPYLAMINE

(E)-(3-(2-CYANOVINYL)PHENYL)BORONIC ACID

7-Methoxyimidazo[1,2-a]pyridine-8-carbonitrile

(2-(1-Cyanovinyl)phenyl)boronic acid

ALPHA-CHLORO-4-FLUOROBENZALDOXIME

1-(3-pyridinyl)- 1H-pyrazole-4-carbaldehyde

4-pyridin-4-yl-1,3,5-triazin-2-amine

C8H7N5 (173.07014220000002)

4-(2-PYRAZINYL)-2-PYRIMIDINAMINE

C8H7N5 (173.07014220000002)

Formamide,N-5-quinoxalinyl-

3-Nitrophthalonitrile

C8H3N3O2 (173.0225258)

1H-Imidazole-4-carboxaldehyde,2-(2-pyridinyl)- (9CI)

7-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE

(+/-)-1-aminocyclopentane-cis-1,2-dicarboxylic acid

2-Chloro-6-fluorophenethylamine

2-Methoxy-4-methylaniline, HCl

1H-Imidazole-4-carboxaldehyde,2-(3-pyridinyl)- (9CI)

1H-Imidazole-4-carboxaldehyde,2-(4-pyridinyl)- (9CI)

SKF 97541

C4H13ClNO2P (173.0372398)

3-Methyl-benzo[b]thiophene-2-carbonitrile

1-(2-Hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid

2-furancarboxamide, 5-(chloromethyl)-N-methyl-

6-Chloro-2-ethoxypyrimidin-4-amine

2-(4-Fluorophenyl)pyridine

2,5-Difluoro-3-nitrotoluene

(2-Amino-4,5-difluorophenyl)boronic acid

5-Amino-2,3-difluorobenzoic acid

2-Chloro-5-(methoxymethoxy)pyridine

(6-Chloro-4-methoxypyridin-3-yl)methanol

5-(difluoromethyl)picolinic acid

4-(oxazol-5-yl)benzaldehyde

5-(2-pyridinyl)-2-furaldehyde

5-Phenylisoxazole-3-carbaldehyde

INDOLE-3,5-DIALDEHYDE

5-AMINO-2-PYRIDINESULFONAMIDE

2-(Methoxymethyl)-4-thiazolecarboxylic acid

1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde

5-amino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester

2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid

ETHYL 3-ISOTHIOCYANATOBUTYRATE

4-(2-hydroxyethylamino)-1,2,5-oxadiazole-3-carboxylic acid

7-Hydroxyquinoline-3-carbaldehyde

1,2-Difluoro-4-methyl-5-nitrobenzene

5-chloro-2-fluorobenzamide

2-Hydroxyquinoline-3-carbaldehyde

6-CHLORO-2-FLUORO-3-METHYLBENZYLAMINE

2-chloro-6-fluorobenzamide

(2-chloro-6-fluoro-3-methylphenyl)methanamine

1-[3-(Difluoromethoxy)phenyl]methanamine

2-chloro-5-[(methylthio)methyl]pyridine(SALTDATA: FREE)

(E)-3-(4-CYANOPHENYL)ACRYLIC ACID

3-(2-Pyridyl)-1-propanol Hydrochloride

6-(2-Furyl)picolinaldehyde

6-(3-pyridinyl)-3(2H)-pyridazinone(SALTDATA: FREE)

3-pyridin-4-yl-1H-pyridazin-6-one

1-(3-Amino-5-methyl-1H-pyrazol-1-yl)-2-chloroethanone

2-(1H-indol-3-yl)-2-oxoacetaldehyde

Tricarballylate

C6H5O6-3 (173.00861300000003)

(2S,5R)-5-(Carboxymethyl)pyrrolidine-2-carboxylic acid

(2R,5R)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid

1,3,4,6,7,9,9b-Heptaazaphenalene

C6H3N7 (173.0449918)

Mccg-I

2-Cyanocinnamic acid

Nitronaphthalene

1-Nitronaphthalene

A mononitronaphthalene substituted by a nitro group at position 1. D009676 - Noxae > D002273 - Carcinogens

(4-Aminophenyl)phosphonic acid

Phosphonic acid,(4-aminophenyl)-

C6H8NO3P (173.0241788)

Guanidino succinic acid

C5H7N3O4-2 (173.0436542)

2-oxo-5-Guanidinopentanoate