blxa4 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

376.49

ALogP

3.63

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCC[C@@H](O)/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O
  • InChIKey: HEDVTGFTYROYFE-RREUNBNVSA-N
    InChI=1S/C22H32O5/c1-2-3-4-10-19(23)15-13-17-8-5-6-9-18(17)14-16-21(25)20(24)11-7-12-22(26)27/h5-6,8-9,13-16,19-21,23-25H,2-4,7,10-12H2,1H3,(H,26,27)/b15-13+,16-14+/t19-,20+,21-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297266   ChEMBL
blxa4

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