asapiprant Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

501.56

ALogP

3.1

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1
  • InChIKey: ZMZNWNTZRWXTJU-UHFFFAOYSA-N
    InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545043   ChEMBL
asapiprant

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