pu-h71 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

512.38

ALogP

3.28

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21
  • InChIKey: SUPVGFZUWFMATN-UHFFFAOYSA-N
    InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL200102   ChEMBL
pu-h71

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