artefenomel Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

469.62

ALogP

4.88

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: c1cc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
  • InChIKey: XLCNVWUKICLURR-NTNLSYPKSA-N
    InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20?,21?,23-,24?,25?,27+,28-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1828820   ChEMBL
artefenomel

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