pci-27483 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

596.58

ALogP

0.83

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N=C(N)c1ccc2nc(-c3cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)[nH]c2c1
  • InChIKey: WDJHHCAKBRKCLW-IBGZPJMESA-N
    InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297315   ChEMBL
pci-27483

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