Synonyms
Status
Molecule Category UNKNOWN
UNII 2YAD6KT0NT

Structure

InChI Key HLQXYDHLDZTWDW-KAWPREARSA-N
Smiles COC[C@H]1C[C@@](Cn2cccn2)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1
InChI
InChI=1S/C26H32N4O5S/c1-25(2,3)19-8-7-17(13-20(19)35-5)23(31)30-21(22-27-10-12-36-22)18(15-34-4)14-26(30,24(32)33)16-29-11-6-9-28-29/h6-13,18,21H,14-16H2,1-5H3,(H,32,33)/t18-,21-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32N4O5S
Molecular Weight 512.63
AlogP 4.02
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 106.78
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 36.0
Assay Description Organism Bioactivity Reference
Antiviral activity against Hepatitis C virus genotype 1a assessed as inhibition of viral replication by replicon assay Hepatitis C virus subtype 1a 290.0 nM
Antiviral activity against Hepatitis C virus genotype 1b assessed as inhibition of viral replication by replicon assay Hepatitis C virus subtype 1b 2.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL2024212
FDA SRS 2YAD6KT0NT
PubChem 11569786
SureChEMBL SCHEMBL5186945