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Small molecule Experimental

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Chemistry

Mol. Mass

388.6

ALogP

6.26

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1
  • InChIKey: ZYRLHJIMTROTBO-UHFFFAOYSA-N
    InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3186849   ChEMBL
cpi 613

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