etalocib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

544.62

ALogP

8.05

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O
  • InChIKey: YFIZRWPXUYFCSN-UHFFFAOYSA-N
    InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL329123   ChEMBL
etalocib

Etalocib   Wikipedia

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