valopicitabine Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

356.38

ALogP

-1.64

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O
  • InChIKey: TVRCRTJYMVTEFS-ICGCPXGVSA-N
    InChI=1S/C15H24N4O6/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22)/t8-,10+,11-,13-,15-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL393820   ChEMBL
valopicitabine *

CHEMBL1743757   ChEMBL
valopicitabine dihydrochloride

Valopicitabine   Wikipedia

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