letrozole   Click here for help

GtoPdb Ligand ID: 5209

Synonyms: Femara®
Approved drug
letrozole is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: Letrozole is an oral non-steroidal aromatase (CYP19A1) inhibitor, with anti-estrogen action.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 78.29
Molecular weight 285.1
XLogP 2.47
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N
Isomeric SMILES N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N
InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7118 letrozole
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Database Links Click here for help
CAS Registry No. 112809-51-5
ChEMBL Ligand CHEMBL1444
DrugBank Ligand DB01006
DrugCentral Ligand 1556
GtoPdb PubChem SID 178101895
PubChem CID 3902
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Letrozole (links to external site)
Cat. No. 4382