quinestrol (estrovis) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

364.5204

ALogP

5.23

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(OC5CCCC5)=CC=C34)[C@@H]1CC[C@@]2(O)C#C
  • InChIKey: PWZUUYSISTUNDW-VAFBSOEGSA-N
    1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201165   ChEMBL
quinestrol

JR0N7XD5GZ   NCATS
quinestrol *

Quinestrol   Wikipedia

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