compound 27 [PMID: 20598884]   Click here for help

GtoPdb Ligand ID: 6437

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 52.89
Molecular weight 274.03
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl
Isomeric SMILES N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl
InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
InChI Key FNDUFJARTKDXEF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-chlorophenyl)-3-cyano-5-fluorobenzamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1209202
GtoPdb PubChem SID 178103053
PubChem CID 46911385
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