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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

311.86

ALogP

2.48

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
  • InChIKey: PYZFRRVBPNGCBX-SECBINFHSA-N
    InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL480558   ChEMBL
gsi-136

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