agn-201904 Report issue

Small molecule Experimental
AACT DrugBank PubChem

Back

Chemistry

Mol. Mass

559.62

ALogP

3.07

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)O)cc1
  • InChIKey: PPCGSVWOZKNPCX-UHFFFAOYSA-N
    InChI=1S/C25H25N3O8S2/c1-15-12-26-21(16(2)24(15)35-4)14-37(31)25-27-20-11-18(34-3)7-10-22(20)28(25)38(32,33)19-8-5-17(6-9-19)36-13-23(29)30/h5-12H,13-14H2,1-4H3,(H,29,30)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297346   ChEMBL
agn-201904

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