ly-2090314 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

512.55

ALogP

3.42

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
  • InChIKey: HRJWTAWVFDCTGO-UHFFFAOYSA-N
    InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL362558   ChEMBL
ly-2090314

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