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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

459.57

ALogP

5.15

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@H](NC(=O)c1c(NS(=O)(=O)C)c(nc2ccccc12)c3ccccc3)c4ccccc4
  • InChIKey: QYTBBBAHNIWFOD-NRFANRHFSA-N
    InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545233   ChEMBL
pavinetant

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