Bioactive Compound Details

BioIDbio199646
NameNone
ChEMBL IDCHEMBL1672307
Molecular FormulaC20H22FNO3
Molecular Weight343.4
Molecular Weight (Monoisotopic)343.1584
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Fluoropropanoxy Catechol Aporphine
SmilesCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3
InchiInChI=1S/C20H22FNO3/c1-22-7-5-13-9-14(25-8-2-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1
Inchi KeySMRWXTZCUTYMQO-MRXNPFEDSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score0.97
Records Key['8e, MCL-531']
Records Name['2-fluoropropanoxy catechol aporphine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure