vs-4718 Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

Back

Chemistry

Mol. Mass

501.51

ALogP

4.79

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F
  • InChIKey: IGUBBWJDMLCRIK-UHFFFAOYSA-N
    InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3040440   ChEMBL
vs-4718

CHEMBL3544933   ChEMBL
vs-4718

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