kosn-1724 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

473.61

ALogP

4.57

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C/C1=C/C[C@@H](/C(C)=C/c2cc(C)on2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1
  • InChIKey: JAYGOFBXDFAXBW-CYEKYUJNSA-N
    InChI=1S/C27H39NO6/c1-16-9-8-10-17(2)25(31)20(5)26(32)27(6,7)23(29)15-24(30)33-22(12-11-16)18(3)13-21-14-19(4)34-28-21/h8,10-11,13-14,17,20,22-23,25,29,31H,9,12,15H2,1-7H3/b10-8-,16-11-,18-13+/t17-,20+,22-,23-,25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297393   ChEMBL
kosn-1724

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