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N-[3,5-bis(trifluoromethyl)phenyl]-2-chloroacetamide

AlkaPlorer ID: AK241300

Synonym: None

IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-chloroacetamide

Structure

SMILES: O=C(CCl)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

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InChI: InChI=1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)

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InChIKey: LEYIUTOAQOUAFG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 305.605

TPSA？: 29.1

MolLogP？: 3.9015

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cathepsin B Activity 75.0 % 10.1016/j.ejmech.2018.10.010
Homo sapiens Cathepsin B Activity 100.0 % 10.1016/j.ejmech.2018.10.010
Homo sapiens Dual specificity mitogen-activated protein kinase kinase 4 Inhibition 55.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens MAP kinase ERK2 Inhibition 7.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens Maternal embryonic leucine zipper kinase Inhibition 36.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens Ribosomal protein S6 kinase alpha 3 Inhibition 14.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens Tyrosine-protein kinase BTK Inhibition 81.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens Tyrosine-protein kinase JAK3 Activity nan None 10.1016/j.ejmech.2020.112836
Homo sapiens Tyrosine-protein kinase JAK3 Inhibition 97.0 % 10.1016/j.ejmech.2020.112836
Homo sapiens Tyrosine-protein kinase JAK3 Inhibition nan % 10.1016/j.ejmech.2020.112836
None ADMET T1/2 0.8 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 3.6 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 4.4 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 5.4 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 5.5 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 5.8 hr 10.1016/j.bmc.2020.115357
None ADMET T1/2 5.8 hr 10.1016/j.ejmech.2018.10.010
None ADMET T1/2 50.0 hr 10.1016/j.bmc.2020.115357
None No relevant target K 0.004 /hr 10.1016/j.ejmech.2020.112836
None No relevant target K 0.12 /hr 10.1016/j.ejmech.2020.112836
None No relevant target solubility nan None 10.1016/j.bmc.2020.115357
None No relevant target T1/2 5.8 hr 10.1016/j.ejmech.2020.112836
None No relevant target T1/2 72.0 hr 10.1016/j.ejmech.2020.112836
None Unchecked Activity 29.0 % 10.1016/j.ejmech.2018.10.010
None Unchecked Activity 80.0 % 10.1016/j.ejmech.2018.10.010
None Unchecked Activity 96.0 % 10.1016/j.ejmech.2018.10.010
None Unchecked Drug metabolism 72.0 % 10.1016/j.ejmech.2018.10.010
None Unchecked IC50 75000.0 nM 10.1016/j.ejmech.2018.10.010
None Unchecked IC50 100000.0 nM 10.1016/j.ejmech.2018.10.010

Metabolism Information