Bioactive Compound Details

BioIDbio198776
NameNone
ChEMBL IDCHEMBL524046
Molecular FormulaC14H17NO5
Molecular Weight279.29
Molecular Weight (Monoisotopic)279.1107
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsIsosorbide-2-Benzyl Carbamate|Isosorbide-2-Benzylcarbamate
SmilesO=C(NCc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InchiInChI=1S/C14H17NO5/c16-10-7-18-13-11(8-19-12(10)13)20-14(17)15-6-9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,15,17)/t10-,11+,12-,13-/m1/s1
Inchi KeyLYJZFQNPWOVWIJ-YVECIDJPSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score0.2
Records Key['4', '3']
Records Name['isosorbide-2-benzyl carbamate', 'Isosorbide-2-benzylcarbamate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure