Bioactive Compound Details

BioIDbio200173
Name3BETA-HYDROXY-16ALPHA-[2(2-HYDROXY ETHOXY)-ETHOXY]PREGN-5-EN-20-ONE
ChEMBL IDCHEMBL2261484
Molecular FormulaC25H40O5
Molecular Weight420.59
Molecular Weight (Monoisotopic)420.2876
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(=O)[C@H]1[C@H](OCCOCCO)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InchiInChI=1S/C25H40O5/c1-16(27)23-22(30-13-12-29-11-10-26)15-21-19-5-4-17-14-18(28)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,18-23,26,28H,5-15H2,1-3H3/t18-,19+,20-,21-,22+,23-,24-,25-/m0/s1
Inchi KeyFROSIRXREXTISI-DWKSCWABSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score2.02
Records Key['5']
Records Name['3beta-Hydroxy-16alpha-[2(2-hydroxy ethoxy)-ethoxy]pregn-5-en-20-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure