VU0092273   Click here for help

GtoPdb Ligand ID: 6421

Synonyms: VU 0092273
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 2
Topological polar surface area 40.54
Molecular weight 305.14
XLogP 4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
Isomeric SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2
InChI Key FPDBSDNGFNDSSK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4-hydroxypiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
Synonyms Click here for help
VU 0092273
Database Links Click here for help
CAS Registry No. 393110-43-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1684241
GtoPdb PubChem SID 178103037
PubChem CID 16000100
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