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Small molecule Experimental
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Chemistry

Mol. Mass

353.4

ALogP

1.21

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O
  • InChIKey: HLWURFKMDLAKOD-UHFFFAOYSA-N
    InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3716057   ChEMBL
gefapixant *

CHEMBL3545041   ChEMBL

Gefapixant   Wikipedia

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