barbexaclonum Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

387.5157

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CN[C@@H](C)CC1CCCCC1.CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
  • InChIKey: MJCBWPMBFCUHBP-NPULLEENSA-N
    1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3/t;9-/m.0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3833301   ChEMBL
barbexaclone

291GX1YB65   NCATS
barbexaclone *

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