[3H]tamoxifen   Click here for help

GtoPdb Ligand ID: 5384

Synonyms: [3H]-tamoxifen
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 12.47
Molecular weight 371.22
XLogP 7.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1
Isomeric SMILES CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChI Key NKANXQFJJICGDU-QPLCGJKRSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
Synonyms Click here for help
[3H]-tamoxifen
Database Links Click here for help
ChEMBL Ligand CHEMBL83
DrugCentral Ligand 2561
GtoPdb PubChem SID 178102042
PubChem CID 2733526
RCSB PDB Ligand CTX
Search Google for chemical match using the InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Search Google for chemicals with the same backbone NKANXQFJJICGDU
Search UniChem for chemical match using the InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Search UniChem for chemicals with the same backbone NKANXQFJJICGDU
Wikipedia Tamoxifen

Product suppliers

View disclaimer

Tocris
Tamoxifen
Cat. No. 6342