Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

449223 - Overview - Compound Synopsis

Synonyms
2S0CDB-2914
EllaoneEsmya
ULIPRISTAL ACETATEUlipristal
Ulipristal AcetateUlipristal acet
Ulipristal acetateUlipristal acetate
VA2914ella
ellaOne
Molecular Formula
C30H37NO4
InChI
InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
Smiles
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
Cross References
UniChem66200
canSAR449223
ChEMBLCHEMBL260538
PDBe (Protein Data Bank Europe)2S0
BindingDB50375424
Commercially Available
Unknown
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 475.2722586645.5430572No