iclaprim Report issue

Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

354.41

ALogP

2.43

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2
  • InChIKey: HWJPWWYTGBZDEG-UHFFFAOYSA-N
    InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL134561   ChEMBL
iclaprim *

CHEMBL2105645   ChEMBL
iclaprim mesylate

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