danirixin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

Back

Chemistry

Mol. Mass

441.91

ALogP

3.66

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
  • InChIKey: NGYNBSHYFOFVLS-LBPRGKRZSA-N
    InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3039531   ChEMBL
danirixin

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