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Small molecule Experimental

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Chemistry

Mol. Mass

388.42

ALogP

3.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
  • InChIKey: GVBNSPFBYXGREE-CXWAGAITSA-N
    InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989444   ChEMBL
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