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Chemistry

Mol. Mass

562.71

ALogP

4.24

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc3ccc(C=C4C5CCC(CS(=O)(=O)O)(C4=O)C5(C)C)cc3
  • InChIKey: HEAHZSUCFKFERC-UHFFFAOYSA-N
    InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989850   ChEMBL
ecamsule *

CHEMBL2096649   ChEMBL

M94R1PM439   NCATS
ecamsule *

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