Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 102MC1467J

Structure

InChI Key MAQDQJWCSSCURR-UHFFFAOYSA-N
Smile CCCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CC5)ccc4OC(F)(F)F)cc3)cc2)CC1
InChI
InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H35F3N4O5S
Molecular Weight 644.72
AlogP 5.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 108.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 45.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 1 D006526 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297353
DrugBank DB12724
FDA SRS 102MC1467J
PubChem 57339445
SureChEMBL SCHEMBL1505141
ZINC ZINC000095627833