ADX-47273   Click here for help

GtoPdb Ligand ID: 1420

Synonyms: ADX 47273 | ADX47273
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 0
Rotatable bonds 4
Topological polar surface area 59.23
Molecular weight 369.13
XLogP 4.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(=O)N1CCCC(C1)c1onc(n1)c1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F
InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
InChI Key VXQCCZHCFBHTTD-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
Synonyms Click here for help
ADX 47273 | ADX47273
Database Links Click here for help
BindingDB Ligand 50187649
CAS Registry No. 851881-60-2 (source: Scifinder)
ChEMBL Ligand CHEMBL381055
GtoPdb PubChem SID 135649898
PubChem CID 11383075
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Wikipedia ADX-47273