hexahydrosiladifenidol   Click here for help

GtoPdb Ligand ID: 310

Abbreviated name: HHSiD
Synonyms: GNF-Pf-5565 | hexahydro-sila-diphenidol | Hhsi-difenidol
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 6
Topological polar surface area 23.47
Molecular weight 331.23
XLogP 5.18
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
Isomeric SMILES O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
InChI Key QTBCATBNRIYMPB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane
Synonyms Click here for help
GNF-Pf-5565 | hexahydro-sila-diphenidol | Hhsi-difenidol
Database Links Click here for help
BindingDB Ligand 81799
CAS Registry No. 98299-40-2 (source: Scifinder)
GtoPdb PubChem SID 135652751
PubChem CID 3602
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