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Benzoxazolinone

AlkaPlorer ID: AK028512

Synonym: None

IUPAC Name: 3H-1,3-benzoxazol-2-one

Structure

SMILES: OC1=NC2=CC=CC=C2O1

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InChI: InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

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InChIKey: ASSKVPFEZFQQNQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Secale cereale Secale Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 135.12199999999996

TPSA？: 46.260000000000005

MolLogP？: 1.5334

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Abutilon theophrasti Abutilon theophrasti Activity 14.0 % 10.1021/np50037a010
Abutilon theophrasti Abutilon theophrasti Activity 75.0 % 10.1021/np50037a010
Abutilon theophrasti Abutilon theophrasti Activity 111.0 % 10.1021/np50037a010
Abutilon theophrasti Abutilon theophrasti Activity 116.0 % 10.1021/np50037a010
Abutilon theophrasti Abutilon theophrasti Activity 118.0 % 10.1021/np50037a010
Abutilon theophrasti Abutilon theophrasti Activity 125.0 % 10.1021/np50037a010
Chlorocebus aethiops COS-7 Inhibition nan % 10.1021/acs.jmedchem.6b01237
Escherichia coli K-12 Beta-lactamase AmpC Potency 562.3 nM None
Homo sapiens Cytochrome P450 1A2 IC50 370000.0 nM 10.1021/jm0489713
Homo sapiens D-amino-acid oxidase Inhibition 26.0 % 10.1016/j.bmc.2018.02.004
Homo sapiens Geminin Potency 290.9 nM None
Homo sapiens HepG2 Potency 35481.3 nM None
Homo sapiens Indoleamine 2,3-dioxygenase Inhibition 4.0 % 10.1016/j.bmc.2013.10.037
Homo sapiens Lysine-specific demethylase 4A Potency 31622.8 nM None
Homo sapiens Muscleblind-like protein 1 Potency 100000.0 nM None
Homo sapiens UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit Activity nan None 10.1021/acs.jmedchem.6b01237
Homo sapiens UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit IC50 11900.0 nM 10.1021/acs.jmedchem.6b01237
Mus musculus Mast cell Inhibition 14.3 % 10.1021/np50055a009
Mus musculus Mast cell Inhibition nan % 10.1021/np50055a009
Mus musculus Mus musculus MES nan None 10.1021/jm970682+
Mus musculus Mus musculus scMet nan None 10.1021/jm970682+
None ADMET Rotarod toxicity nan None 10.1021/jm970682+
None Unchecked Activity 20.0 % 10.1021/acs.jmedchem.6b01237
None Unchecked Activity 80.0 % 10.1021/acs.jmedchem.6b01237
None Unchecked Inhibition 20.0 % 10.1021/acs.jmedchem.6b01237
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.6b01237

Metabolism Information