Bioactive Compound Details

BioIDbio198879
NameNone
ChEMBL IDCHEMBL483857
Molecular FormulaC15H14O3S2
Molecular Weight306.41
Molecular Weight (Monoisotopic)306.0384
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-((4-Phenoxyphenylsulfonyl)Methyl)Thiirane
SmilesO=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
InchiInChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
Inchi KeyLSONWRHLFZYHIN-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets15.0
Bioactivities53.0
Np Likeness Score-0.84
Records Key['18', '1', 'SID174006347', 'SB-3CT', '1, SB-3CT', 'SB-3CT', 'SB-3CT', '11; SB-3CT', '53; SB-3CT', '23; SB-3CT', '53; SB-3CT']
Records Name['2-((4-phenoxyphenylsulfonyl)methyl)thiirane', '2-((4-phenoxyphenylsulfonyl)methyl)thiirane', 'SID174006347', '2-((4-phenoxyphenylsulfonyl)methyl)thiirane', '2-((4-phenoxyphenylsulfonyl)methyl)thiirane', 'SB-3CT', 'SB-3CT', '2-((4-phenoxyphenylsulfonyl)methyl)thiirane', '2-(((4-phenoxyphenyl)sulfonyl)methyl)thiirane', '2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane', '2-(((4-phenoxyphenyl)sulfonyl)methyl)thiirane']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure