Bioactive Compound Details

BioIDbio200169
NameNone
ChEMBL IDCHEMBL502304
Molecular FormulaC13H20ClNO3
Molecular Weight273.76
Molecular Weight (Monoisotopic)237.1365
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms4-(2-(Diethylamino)Ethoxy)Benzoic Acid Hydrochloride|4-(2-Diethylaminoethoxy)Benzoic Acid Hydrochloride
SmilesCCN(CC)CCOc1ccc(C(=O)O)cc1.Cl
InchiInChI=1S/C13H19NO3.ClH/c1-3-14(4-2)9-10-17-12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1H
Inchi KeySOEBUSCNBNZIRA-UHFFFAOYSA-N
Molecular SpeciesZWITTERION
Targets7.0
Bioactivities10.0
Np Likeness Score-1.02
Records Key['8', '8']
Records Name['4-(2-(diethylamino)ethoxy)benzoic acid hydrochloride', '4-(2-diethylaminoethoxy)benzoic acid hydrochloride']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure