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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

321.34

ALogP

2.0

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N
  • InChIKey: HQSBCDPYXDGTCL-UHFFFAOYSA-N
    InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545386   ChEMBL
bi113823

CHEMBL447664   ChEMBL
vipadenant

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