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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

435.43

ALogP

2.75

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)c(C(F)F)n1
  • InChIKey: NREKKBAMVWQRES-MRXNPFEDSA-N
    InChI=1S/C16H20F3N5O4S/c1-16(19,29(26,27)11-9-23(2)21-13(11)14(17)18)10-3-6-24(7-4-10)15(25)20-12-5-8-28-22-12/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22,25)/t16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594304   ChEMBL
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