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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

401.48

ALogP

4.33

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Fc1cc(F)c2c(c1)C[C@@H](n1c(CCNCc3ccccc3)c[nH]c1=S)CO2
  • InChIKey: ZSSLCFLHEFXANG-GOSISDBHSA-N
    InChI=1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594440   ChEMBL
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