ISOXAFLUTOLE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0T9R0O0EYT

Structure
InChI Key OYIKARCXOQLFHF-UHFFFAOYSA-N
Smile CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChI
InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12F3NO4S
Molecular Weight 359.33
AlogP 3.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 77.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Herpes Labialis 2 D006560 ClinicalTrials

Cross References

Resources Reference
ChEBI 141213
ChEMBL CHEMBL1887147
DrugBank DB12938
EPA CompTox DTXSID5034723
FDA SRS 0T9R0O0EYT
PubChem 84098
SureChEMBL SCHEMBL66989
ZINC ZINC000002384341
CONTENTS