tetrahydrogestrinone Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

308.42

ALogP

3.72

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC
  • InChIKey: BJJXHLWLUDYTGC-ANULTFPQSA-N
    InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1868702   ChEMBL
gestrinone

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