Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key LBJVBJYMZKEREY-UHFFFAOYSA-N
Smile O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)NC(=O)c1ccccc1S2(=O)=O
InChI
InChI=1S/C19H12F3N3O4S2/c20-19(21,22)18-24-9-11(30-18)8-23-16(26)10-5-6-15-13(7-10)25-17(27)12-3-1-2-4-14(12)31(15,28)29/h1-7,9H,8H2,(H,23,26)(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H12F3N3O4S2
Molecular Weight 467.45
AlogP 3.49
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 105.23
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 2 D019694 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650324