abt-639 Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

455.91

ALogP

3.34

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1
  • InChIKey: AGPIHNZOZNKRGT-CYBMUJFWSA-N
    InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3590674   ChEMBL
abt-639

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