Bioactive Compound Details

BioIDbio197285
NameNone
ChEMBL IDCHEMBL583239
Molecular FormulaC31H26N2O4S
Molecular Weight522.63
Molecular Weight (Monoisotopic)522.1613
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Amino-Thiazole Dihydroptychantol A Dimethyl Ether
SmilesCOc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)-c1nc(N)sc1-c1cccc(c1)O2
InchiInChI=1S/C31H26N2O4S/c1-34-24-13-15-26-21(17-24)8-6-19-7-14-27(35-2)28(16-19)36-23-11-9-20(10-12-23)29-30(38-31(32)33-29)22-4-3-5-25(18-22)37-26/h3-5,7,9-18H,6,8H2,1-2H3,(H2,32,33)
Inchi KeyHTEBNEDSZXNRPE-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score0.6
Records Key['19']
Records Name['2-Amino-thiazole dihydroptychantol A dimethyl ether']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure