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Chemistry

Mol. Mass

519.9

ALogP

3.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]3(=O)OCC[C@H](O3)c4cccc(Cl)c4
  • InChIKey: JXQUAHHUSMJUFV-HZPZRMRQSA-N
    InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989658   ChEMBL
pradefovir mesylate *

CHEMBL2107363   ChEMBL

CHEMBL2111102   ChEMBL

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