hsd-016 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

514.46

ALogP

4.51

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1
  • InChIKey: ZWASRJHIEFYJGL-BFUOFWGJSA-N
    InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297286   ChEMBL
hsd-016

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