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Small molecule Experimental

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Chemistry

Mol. Mass

527.54

ALogP

5.55

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(C=Cc2cc(CNC(C)(CO)C(=O)O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)OCCO2
  • InChIKey: PTGUEPRQUFAZLN-UHFFFAOYSA-N
    InChI=1S/C29H28F3NO5/c1-18-20(4-3-5-23(18)21-9-11-25-26(15-21)38-13-12-37-25)7-8-22-14-19(6-10-24(22)29(30,31)32)16-33-28(2,17-34)27(35)36/h3-11,14-15,33-34H,12-13,16-17H2,1-2H3,(H,35,36)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095188   ChEMBL
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