compound 17 [PMID: 18754614]   Click here for help

GtoPdb Ligand ID: 3076

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 32.7
Molecular weight 347.05
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br
Isomeric SMILES CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br
InChI InChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3
InChI Key NALOOEVGTGAOHW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol
Database Links Click here for help
ChEMBL Ligand CHEMBL492659
GtoPdb PubChem SID 135649690
PubChem CID 25108301
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