guadecitabine Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

557.42

ALogP

-2.63

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC(=NC5=O)N)O3)C(=O)N1
  • InChIKey: GUWXKKAWLCENJA-WGWHJZDNSA-N
    InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544916   ChEMBL
guadecitabine

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