VU0404251   Click here for help

GtoPdb Ligand ID: 6410

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 7
Topological polar surface area 51.22
Molecular weight 330.17
XLogP 4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cccc(c1)COc1ccc(cn1)C(=O)NC(C(C)(C)C)C
Isomeric SMILES Fc1cccc(c1)COc1ccc(cn1)C(=O)N[C@@H](C(C)(C)C)C
InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChI Key VOYBJCDMLJODRK-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL2151817
GtoPdb PubChem SID 178103026
PubChem CID 58368068
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UniChem Compound Search for chemical match using the InChIKey VOYBJCDMLJODRK-CYBMUJFWSA-N
UniChem Connectivity Search for chemical match using the InChIKey VOYBJCDMLJODRK-CYBMUJFWSA-N