VU0357121   Click here for help

GtoPdb Ligand ID: 6399

Synonyms: VU 0357121
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 38.33
Molecular weight 305.12
XLogP 4.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F
Isomeric SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F
InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChI Key AHCYOTLTLQTPSU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-butoxy-N-(2,4-difluorophenyl)benzamide
Synonyms Click here for help
VU 0357121
Database Links Click here for help
CAS Registry No. 433967-28-3 (source: Scifinder)
ChEMBL Ligand CHEMBL2151790
GtoPdb PubChem SID 178103015
PubChem CID 2296132
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Tocris
VU 0357121
Cat. No. 4437