sgi-1776 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

405.42

ALogP

4.05

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
  • InChIKey: MHXGEROHKGDZGO-UHFFFAOYSA-N
    InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1952329   ChEMBL
sgi-1776

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue