Bioactive Compound Details

BioIDbio200182
Name3BETA-HYDROXY-16ALPHA-(2-AMINO-5-FLUORO-PHENYL)-PREGN-5-EN-20-ONE
ChEMBL IDCHEMBL2261228
Molecular FormulaC27H36FNO2
Molecular Weight425.59
Molecular Weight (Monoisotopic)425.273
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(=O)[C@H]1[C@H](c2cc(F)ccc2N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InchiInChI=1S/C27H36FNO2/c1-15(30)25-21(20-13-17(28)5-7-24(20)29)14-23-19-6-4-16-12-18(31)8-10-26(16,2)22(19)9-11-27(23,25)3/h4-5,7,13,18-19,21-23,25,31H,6,8-12,14,29H2,1-3H3/t18-,19+,21-,22-,23-,25-,26-,27-/m0/s1
Inchi KeyKEEPEQSLZZAFNX-XGRCINOWSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities20.0
Np Likeness Score1.54
Records Key['14']
Records Name['3beta-Hydroxy-16alpha-(2-amino-5-fluoro-phenyl)-pregn-5-en-20-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure