lasofoxifene   

GtoPdb Ligand ID: 7542

Synonyms: lasofoxifene tartrate
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.7
Molecular weight 413.24
XLogP 6.22
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc2c(c1)CCC(C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1
Isomeric SMILES Oc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccc(cc1)OCCN1CCCC1)c1ccccc1
InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
InChI Key GXESHMAMLJKROZ-IAPPQJPRSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
International Nonproprietary Names
INN number INN
7875 lasofoxifene
Synonyms
lasofoxifene tartrate
Database Links
CAS Registry No. 180916-16-9
ChEBI CHEBI:41282
ChEMBL Ligand CHEMBL328190
GtoPdb PubChem SID 187051843
PubChem CID 216416
RCSB PDB Ligand C3D
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SynPHARM 79959 (in complex with Estrogen receptor-α)
Wikipedia Lasofoxifene