radalbuvir Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

543.73

ALogP

5.4

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@](O)(CO[C@H]3CCOC3)CC2)CC1
  • InChIKey: MUICUPWICXUNRS-GDCCIXDYSA-N
    InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3121539   ChEMBL
radalbuvir

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