progestoral Report issue

Small molecule Experimental
ChEMBL Drug Central MeSH PubChem

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Chemistry

Mol. Mass

312.4458

ALogP

4.93

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
  • InChIKey: CHNXZKVNWQUJIB-CEGNMAFCSA-N
    1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105373   ChEMBL
pregnenolone succinate

CHEMBL241694   ChEMBL
ethisterone

P201BVY1MJ   NCATS
ethisterone *

Ethisterone   Wikipedia

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