uprifosbuvir Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

545.91

ALogP

1.93

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(Cl)[C@@H]1O)Oc3ccccc3
  • InChIKey: SFPFZQKYPOWCSI-KHFYHRBSSA-N
    InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3833371   ChEMBL
uprifosbuvir *

Uprifosbuvir   Wikipedia

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