Bioactive Compound Details

BioIDbio197632
NameNone
ChEMBL IDCHEMBL611761
Molecular FormulaC19H32N2O2
Molecular Weight320.48
Molecular Weight (Monoisotopic)320.2464
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(Dimethylamino)Ethyl 4-(Octylamino)Benzoate
SmilesCCCCCCCCNc1ccc(C(=O)OCCN(C)C)cc1
InchiInChI=1S/C19H32N2O2/c1-4-5-6-7-8-9-14-20-18-12-10-17(11-13-18)19(22)23-16-15-21(2)3/h10-13,20H,4-9,14-16H2,1-3H3
Inchi KeyHTIAPVXKEFVTOQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities10.0
Np Likeness Score-0.67
Records Key['3', '5', '2']
Records Name['N,N-dimethyl-2-(4-(octylamino)benzoyloxy)ethanaminium', '2-(Dimethylamino)ethyl 4-(Octylamino)benzoate', 'N,N-dimethyl-2-(4-(octylamino)benzoyloxy)ethanaminium']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure