beclabuvir Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

659.85

ALogP

4.69

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc2c(c1)[C@@H]3C[C@@]3(Cn4c2c(C5CCCCC5)c6ccc(cc46)C(=O)NS(=O)(=O)N(C)C)C(=O)N7C8CCC7CN(C)C8
  • InChIKey: ZTTKEBYSXUCBSE-VSBZUFFNSA-N
    InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3126842   ChEMBL
beclabuvir

Beclabuvir   Wikipedia

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