Tovinontrine Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

394.48

ALogP

1.94

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1
  • InChIKey: GWGNPYYVGANHRJ-GDBMZVCRSA-N
    InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297290   ChEMBL
tovinontrine

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